COC(=O)C1CCCC1C(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)N)F
Name: trans-methyl (1R,2R)-2-[4-(4-amino-3-fluorophenyl)benzoyl]cyclopentane-1-carboxylate
SMILES: COC(=O)C1CCCC1C(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)N)F

Molecular Processing

Molecular formula
C20H20FNO3
Molecular weight
341.38
Exact mass
341.1427
XLogP
3.85
TPSA
69.39
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
93.43

Supplementary Information

InChIKey: OZCFHHBJOFHTGR-HZPDHXFCSA-N
Synonyme
SCHEMBL1748016OZCFHHBJOFHTGR-HZPDHXFCSA-NMethyl (1R,2R)-2-[(4'-amino-3'-fluoro-1,1'-biphenyl-4-yl)carbonyl]cyclopentanecarboxylatemethyl (1R,2R)-2-[(4'-amino-3'-fluoro-1,1'-biphenyl-4-yl)carbonyl]-cyclopentanecarboxylateMethyl (1R,2R)-2-[(4'-amino-3'-fluoro-1,1'-biphenyl-4-yl)carbonyl]cyclo-pentanecarboxylate
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