Name: N-[4-chloro-2-[(2-chlorophenyl)-hydroxymethyl]phenyl]-2,2,2-trifluoroacetamide
SMILES:
C1=CC=C(C(=C1)C(C2=C(C=CC(=C2)Cl)NC(=O)C(F)(F)F)O)ClMolecular Processing
Molecular formula
C15H10Cl2F3NO2
Molecular weight
364.15
Exact mass
363.0041
XLogP
4.58
TPSA
49.33
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
81.65
Supplementary Information
InChIKey: KFGUDYSVQTUUDQ-UHFFFAOYSA-N
Synonyme
5-chloro-alpha-(2-chlorophenyl)-2-(trifluoroacetylamino)benzyl alcoholSCHEMBL6957617
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