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

C14H10BrCl2NO2 — CID 81307448

IUPAC4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Br)c(Cl)c2)cc1Cl
InChIInChI=1S/C14H10BrCl2NO2/c1-20-13-5-3-9(7-12(13)17)18-14(19)8-2-4-10(15)11(16)6-8/h2-7H,1H3,(H,18,19)
InChIKeyWRBJJWZNEXEGLD-UHFFFAOYSA-N
MW375.05 g/mol
LogP5.02
Rot. Bonds3

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

4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide (PubChem CID 81307448) has the molecular formula C14H10BrCl2NO2 and a molecular weight of 375.05 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
PubChem CID81307448
Molecular FormulaC14H10BrCl2NO2
Molecular Weight375.05 g/mol
Exact Mass372.93
IUPAC Name4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Br)c(Cl)c2)cc1Cl
InChIInChI=1S/C14H10BrCl2NO2/c1-20-13-5-3-9(7-12(13)17)18-14(19)8-2-4-10(15)11(16)6-8/h2-7H,1H3,(H,18,19)
InChIKeyWRBJJWZNEXEGLD-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)-3-chloro-4-methoxybenzamide
CID 3529705
3-amino-N-(4-bromo-3-chlorophenyl)-4-methoxybenzamide
CID 107618351
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-(4-bromo-3-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 103824600
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
3-chloro-4-methoxy-N-(4-methylphenyl)benzamide
CID 2976183
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 2994955
4-bromo-3-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 80961600
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499
N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide
CID 107613087
N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
CID 2540642

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide (CID 81307448) is 4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(Br)c(Cl)c2)cc1Cl.
What is the InChIKey of 4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide?
The InChIKey is WRBJJWZNEXEGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2NO2/c1-20-13-5-3-9(7-12(13)17)18-14(19)8-2-4-10(15)11(16)6-8/h2-7H,1H3,(H,18,19).
What are the key properties of 4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide?
4-bromo-3-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 4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide is sourced from PubChem (CID 81307448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).