CCC1=CC=C(C=C1)CC2=CC(=C(C=C2NC(=O)C)OC)Br
Name: N-[4-bromo-2-[(4-ethylphenyl)methyl]-5-methoxyphenyl]acetamide
SMILES: CCC1=CC=C(C=C1)CC2=CC(=C(C=C2NC(=O)C)OC)Br

Molecular Processing

Molecular formula
C18H20BrNO2
Molecular weight
362.27
Exact mass
361.0677
XLogP
4.57
TPSA
38.33
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
93.62

Supplementary Information

InChIKey: KJWPKISSCOPAKU-UHFFFAOYSA-N
Synonyms
SCHEMBL1252277KJWPKISSCOPAKU-UHFFFAOYSA-NN-[4-Bromo-2-(4-ethyl-benzyl)-5-methoxy-phenyl]-acetamide
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Involved in 4 reactions→

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