4-bromo-3-chloro-N-[4-(cyanomethyl)phenyl]benzamide

C15H10BrClN2O — CID 80966309

IUPAC4-bromo-3-chloro-N-[4-(cyanomethyl)phenyl]benzamide
SMILESN#CCc1ccc(NC(=O)c2ccc(Br)c(Cl)c2)cc1
InChIInChI=1S/C15H10BrClN2O/c16-13-6-3-11(9-14(13)17)15(20)19-12-4-1-10(2-5-12)7-8-18/h1-6,9H,7H2,(H,19,20)
InChIKeyFBJPVMKUMWARRO-UHFFFAOYSA-N
MW349.62 g/mol
LogP4.42
Rot. Bonds3

About 4-bromo-3-chloro-N-[4-(cyanomethyl)phenyl]benzamide

4-bromo-3-chloro-N-[4-(cyanomethyl)phenyl]benzamide (PubChem CID 80966309) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-[4-(cyanomethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-[4-(cyanomethyl)phenyl]benzamide
PubChem CID80966309
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC Name4-bromo-3-chloro-N-[4-(cyanomethyl)phenyl]benzamide
SMILESN#CCc1ccc(NC(=O)c2ccc(Br)c(Cl)c2)cc1
InChIInChI=1S/C15H10BrClN2O/c16-13-6-3-11(9-14(13)17)15(20)19-12-4-1-10(2-5-12)7-8-18/h1-6,9H,7H2,(H,19,20)
InChIKeyFBJPVMKUMWARRO-UHFFFAOYSA-N
XLogP4.42
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-3-chloro-N-[4-(cyanomethyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dichloro-N-[4-(cyanomethyl)phenyl]benzamide
CID 674696
N-[4-(2-amino-2-oxoethyl)phenyl]-4-bromo-3-chlorobenzamide
CID 80973483
4-bromo-3-chloro-N-(4-chloro-3-cyanophenyl)benzamide
CID 81308168
N-[4-(cyanomethyl)phenyl]-3,4-dihydroxybenzamide
CID 103955439
4-bromo-3-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 80961600
4-bromo-3-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 81295641
4-[(4-bromo-3-chlorobenzoyl)amino]benzenesulfonyl chloride
CID 81290021
2-bromo-N-[4-(cyanomethyl)phenyl]-5-iodobenzamide
CID 103989008
4-bromo-3-chloro-N-[3-(cyanomethoxy)phenyl]benzamide
CID 80973651
3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-(cyanomethyl)phenyl]benzamide
CID 26375346
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide
CID 107613087

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-[4-(cyanomethyl)phenyl]benzamide?
The IUPAC name of 4-bromo-3-chloro-N-[4-(cyanomethyl)phenyl]benzamide (CID 80966309) is 4-bromo-3-chloro-N-[4-(cyanomethyl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-[4-(cyanomethyl)phenyl]benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-[4-(cyanomethyl)phenyl]benzamide is N#CCc1ccc(NC(=O)c2ccc(Br)c(Cl)c2)cc1.
What is the InChIKey of 4-bromo-3-chloro-N-[4-(cyanomethyl)phenyl]benzamide?
The InChIKey is FBJPVMKUMWARRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c16-13-6-3-11(9-14(13)17)15(20)19-12-4-1-10(2-5-12)7-8-18/h1-6,9H,7H2,(H,19,20).
What are the key properties of 4-bromo-3-chloro-N-[4-(cyanomethyl)phenyl]benzamide?
4-bromo-3-chloro-N-[4-(cyanomethyl)phenyl]benzamide has a molecular weight of 349.62 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-[4-(cyanomethyl)phenyl]benzamide is sourced from PubChem (CID 80966309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).