3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide

C15H12BrCl2NO2 — CID 107999177

IUPAC3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H12BrCl2NO2/c1-8-5-13(14(21-2)7-12(8)18)19-15(20)9-3-4-11(17)10(16)6-9/h3-7H,1-2H3,(H,19,20)
InChIKeyFQEPYEMQWOSEIP-UHFFFAOYSA-N
MW389.08 g/mol
LogP5.33
Rot. Bonds3

About 3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide

3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide (PubChem CID 107999177) has the molecular formula C15H12BrCl2NO2 and a molecular weight of 389.08 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
PubChem CID107999177
Molecular FormulaC15H12BrCl2NO2
Molecular Weight389.08 g/mol
Exact Mass386.94
IUPAC Name3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H12BrCl2NO2/c1-8-5-13(14(21-2)7-12(8)18)19-15(20)9-3-4-11(17)10(16)6-9/h3-7H,1-2H3,(H,19,20)
InChIKeyFQEPYEMQWOSEIP-UHFFFAOYSA-N
XLogP5.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.08
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 81456873
4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3-fluorobenzamide
CID 60589124
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
3-bromo-4-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 103841734
3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide
CID 107999128
N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide
CID 1297130
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55386862
N-(4-chloro-2-methoxy-5-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 110600886
[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl] acetate
CID 2233798
N-(4-chloro-2-methoxy-5-methylphenyl)-4-methyl-3-nitrobenzamide
CID 2668909
1-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050654
3,5-diamino-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 61091211

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide (CID 107999177) is 3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide is COc1cc(Cl)c(C)cc1NC(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide?
The InChIKey is FQEPYEMQWOSEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2NO2/c1-8-5-13(14(21-2)7-12(8)18)19-15(20)9-3-4-11(17)10(16)6-9/h3-7H,1-2H3,(H,19,20).
What are the key properties of 3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide?
3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide has a molecular weight of 389.08 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide is sourced from PubChem (CID 107999177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).