N-(4-acetylphenyl)-2-bromo-4-chlorobenzamide

C15H11BrClNO2 — CID 103763178

IUPACN-(4-acetylphenyl)-2-bromo-4-chlorobenzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C15H11BrClNO2/c1-9(19)10-2-5-12(6-3-10)18-15(20)13-7-4-11(17)8-14(13)16/h2-8H,1H3,(H,18,20)
InChIKeyIVUXFLUCNQGTKP-UHFFFAOYSA-N
MW352.62 g/mol
LogP4.56
Rot. Bonds3

About N-(4-acetylphenyl)-2-bromo-4-chlorobenzamide

N-(4-acetylphenyl)-2-bromo-4-chlorobenzamide (PubChem CID 103763178) has the molecular formula C15H11BrClNO2 and a molecular weight of 352.62 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-bromo-4-chlorobenzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-bromo-4-chlorobenzamide
PubChem CID103763178
Molecular FormulaC15H11BrClNO2
Molecular Weight352.62 g/mol
Exact Mass350.97
IUPAC NameN-(4-acetylphenyl)-2-bromo-4-chlorobenzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C15H11BrClNO2/c1-9(19)10-2-5-12(6-3-10)18-15(20)13-7-4-11(17)8-14(13)16/h2-8H,1H3,(H,18,20)
InChIKeyIVUXFLUCNQGTKP-UHFFFAOYSA-N
XLogP4.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.62
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide
CID 103763181
2-bromo-4-chloro-N-(4-methylphenyl)benzamide
CID 103763138
2-bromo-4-chloro-N-(4-formylphenyl)benzamide
CID 107987879
2-bromo-4-chloro-N-[4-(chloromethyl)phenyl]benzamide
CID 107993837
N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
CID 108514724
5-[(2-bromo-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 103763706
1-(4-acetylphenyl)-3-(2-bromo-5-chlorophenyl)urea
CID 81280665
2-bromo-4-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 103763233
2-bromo-4-chloro-N-(4-chloro-3-cyanophenyl)benzamide
CID 103763591
N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide
CID 114027991
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
N-(6-amino-3-pyridinyl)-2-bromo-4-chlorobenzamide
CID 103806405

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-bromo-4-chlorobenzamide?
The IUPAC name of N-(4-acetylphenyl)-2-bromo-4-chlorobenzamide (CID 103763178) is N-(4-acetylphenyl)-2-bromo-4-chlorobenzamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-bromo-4-chlorobenzamide?
The canonical SMILES for N-(4-acetylphenyl)-2-bromo-4-chlorobenzamide is CC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Br)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-bromo-4-chlorobenzamide?
The InChIKey is IVUXFLUCNQGTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO2/c1-9(19)10-2-5-12(6-3-10)18-15(20)13-7-4-11(17)8-14(13)16/h2-8H,1H3,(H,18,20).
What are the key properties of N-(4-acetylphenyl)-2-bromo-4-chlorobenzamide?
N-(4-acetylphenyl)-2-bromo-4-chlorobenzamide has a molecular weight of 352.62 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-bromo-4-chlorobenzamide is sourced from PubChem (CID 103763178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).