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

C15H12BrClFNO2 — CID 60589124

IUPAC4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3-fluorobenzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H12BrClFNO2/c1-8-5-13(14(21-2)7-11(8)17)19-15(20)9-3-4-10(16)12(18)6-9/h3-7H,1-2H3,(H,19,20)
InChIKeyGGYXOEBEBALNGY-UHFFFAOYSA-N
MW372.62 g/mol
LogP4.81
Rot. Bonds3

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

4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3-fluorobenzamide (PubChem CID 60589124) has the molecular formula C15H12BrClFNO2 and a molecular weight of 372.62 g/mol. Its IUPAC name is 4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3-fluorobenzamide
PubChem CID60589124
Molecular FormulaC15H12BrClFNO2
Molecular Weight372.62 g/mol
Exact Mass370.97
IUPAC Name4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3-fluorobenzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C15H12BrClFNO2/c1-8-5-13(14(21-2)7-11(8)17)19-15(20)9-3-4-10(16)12(18)6-9/h3-7H,1-2H3,(H,19,20)
InChIKeyGGYXOEBEBALNGY-UHFFFAOYSA-N
XLogP4.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.62
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 107999177
3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 81456873
N-(4-chloro-2-methoxy-5-methylphenyl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 52764041
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-fluorobenzamide
CID 104723980
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
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
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-difluorobenzamide
CID 4852133
N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoro-4-methylbenzamide
CID 104724099
[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl] acetate
CID 2233798
N-(4-chloro-2-methoxy-5-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 110600886
N-(4-chloro-2-methoxy-5-methylphenyl)-4-methyl-3-nitrobenzamide
CID 2668909

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3-fluorobenzamide?
The IUPAC name of 4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3-fluorobenzamide (CID 60589124) is 4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3-fluorobenzamide is COc1cc(Cl)c(C)cc1NC(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3-fluorobenzamide?
The InChIKey is GGYXOEBEBALNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO2/c1-8-5-13(14(21-2)7-11(8)17)19-15(20)9-3-4-10(16)12(18)6-9/h3-7H,1-2H3,(H,19,20).
What are the key properties of 4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3-fluorobenzamide?
4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3-fluorobenzamide has a molecular weight of 372.62 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3-fluorobenzamide is sourced from PubChem (CID 60589124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).