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

C15H12BrClN2O2 — CID 80961600

IUPAC4-bromo-3-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1ccc(NC(=O)c2ccc(Br)c(Cl)c2)cc1
InChIInChI=1S/C15H12BrClN2O2/c1-18-14(20)9-2-5-11(6-3-9)19-15(21)10-4-7-12(16)13(17)8-10/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyUJRZNQUPPSBHKE-UHFFFAOYSA-N
MW367.63 g/mol
LogP3.71
Rot. Bonds3

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

4-bromo-3-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide (PubChem CID 80961600) has the molecular formula C15H12BrClN2O2 and a molecular weight of 367.63 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide
PubChem CID80961600
Molecular FormulaC15H12BrClN2O2
Molecular Weight367.63 g/mol
Exact Mass365.98
IUPAC Name4-bromo-3-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1ccc(NC(=O)c2ccc(Br)c(Cl)c2)cc1
InChIInChI=1S/C15H12BrClN2O2/c1-18-14(20)9-2-5-11(6-3-9)19-15(21)10-4-7-12(16)13(17)8-10/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyUJRZNQUPPSBHKE-UHFFFAOYSA-N
XLogP3.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.63
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-bromo-3-chloro-N-[4-(methylcarbamoyl)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

4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
4-bromo-3-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 81295641
N-(4-bromo-3-chlorophenyl)-4-sulfanylbenzamide
CID 107617517
N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide
CID 107613087
4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 81307448
4-[(4-bromo-3-chlorobenzoyl)amino]benzenesulfonyl chloride
CID 81290021
N-[4-(2-amino-2-oxoethyl)phenyl]-4-bromo-3-chlorobenzamide
CID 80973483
N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4-dichlorobenzamide
CID 21211970
N-(3-amino-4-ethylphenyl)-4-bromo-3-chlorobenzamide
CID 81290420
4-bromo-3-chloro-N-[4-(cyanomethyl)phenyl]benzamide
CID 80966309
4-bromo-3-chloro-N-(3-propan-2-ylphenyl)benzamide
CID 81308165
4-bromo-3-chloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 80973979

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide?
The IUPAC name of 4-bromo-3-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide (CID 80961600) is 4-bromo-3-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide is CNC(=O)c1ccc(NC(=O)c2ccc(Br)c(Cl)c2)cc1.
What is the InChIKey of 4-bromo-3-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide?
The InChIKey is UJRZNQUPPSBHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O2/c1-18-14(20)9-2-5-11(6-3-9)19-15(21)10-4-7-12(16)13(17)8-10/h2-8H,1H3,(H,18,20)(H,19,21).
What are the key properties of 4-bromo-3-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide?
4-bromo-3-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide has a molecular weight of 367.63 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 80961600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).