2-bromo-4-chloro-N-(3-chloro-4-methoxyphenyl)benzamide

C14H10BrCl2NO2 — CID 103763233

IUPAC2-bromo-4-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)cc2Br)cc1Cl
InChIInChI=1S/C14H10BrCl2NO2/c1-20-13-5-3-9(7-12(13)17)18-14(19)10-4-2-8(16)6-11(10)15/h2-7H,1H3,(H,18,19)
InChIKeyXQQGOQXWFOJMOC-UHFFFAOYSA-N
MW375.05 g/mol
LogP5.02
Rot. Bonds3

About 2-bromo-4-chloro-N-(3-chloro-4-methoxyphenyl)benzamide

2-bromo-4-chloro-N-(3-chloro-4-methoxyphenyl)benzamide (PubChem CID 103763233) has the molecular formula C14H10BrCl2NO2 and a molecular weight of 375.05 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(3-chloro-4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
PubChem CID103763233
Molecular FormulaC14H10BrCl2NO2
Molecular Weight375.05 g/mol
Exact Mass372.93
IUPAC Name2-bromo-4-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)cc2Br)cc1Cl
InChIInChI=1S/C14H10BrCl2NO2/c1-20-13-5-3-9(7-12(13)17)18-14(19)10-4-2-8(16)6-11(10)15/h2-7H,1H3,(H,18,19)
InChIKeyXQQGOQXWFOJMOC-UHFFFAOYSA-N
XLogP5.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.05
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-methoxyphenyl)-5-chloro-2-hydroxybenzamide
CID 63998623
N-(4-bromo-3-methylphenyl)-5-chloro-2-methoxybenzamide
CID 2198688
2-bromo-4-chloro-N-(4-methylphenyl)benzamide
CID 103763138
4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 81307448
2-bromo-4-chloro-N-(2-methoxy-4-pyridinyl)benzamide
CID 112739552
5-[(2-bromo-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 103763706
N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705
N-(4-bromo-3-methoxyphenyl)-5-chloro-2-hydroxybenzamide
CID 82867994
2-bromo-4-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114839990
N-(3-chloro-4-methoxyphenyl)-2-methyl-5-sulfanylbenzamide
CID 107019946
N-(4-acetylphenyl)-2-bromo-4-chlorobenzamide
CID 103763178
2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide
CID 9191956

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(3-chloro-4-methoxyphenyl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(3-chloro-4-methoxyphenyl)benzamide (CID 103763233) is 2-bromo-4-chloro-N-(3-chloro-4-methoxyphenyl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(3-chloro-4-methoxyphenyl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(3-chloro-4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(Cl)cc2Br)cc1Cl.
What is the InChIKey of 2-bromo-4-chloro-N-(3-chloro-4-methoxyphenyl)benzamide?
The InChIKey is XQQGOQXWFOJMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2NO2/c1-20-13-5-3-9(7-12(13)17)18-14(19)10-4-2-8(16)6-11(10)15/h2-7H,1H3,(H,18,19).
What are the key properties of 2-bromo-4-chloro-N-(3-chloro-4-methoxyphenyl)benzamide?
2-bromo-4-chloro-N-(3-chloro-4-methoxyphenyl)benzamide has a molecular weight of 375.05 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(3-chloro-4-methoxyphenyl)benzamide is sourced from PubChem (CID 103763233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).