4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-3-chlorobenzamide

C15H12Br2ClNO2 — CID 81295554

IUPAC4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-3-chlorobenzamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H12Br2ClNO2/c1-8-5-10(16)7-13(21-2)14(8)19-15(20)9-3-4-11(17)12(18)6-9/h3-7H,1-2H3,(H,19,20)
InChIKeySFRIEDZOEBFRMU-UHFFFAOYSA-N
MW433.53 g/mol
LogP5.43
Rot. Bonds3

About 4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-3-chlorobenzamide

4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-3-chlorobenzamide (PubChem CID 81295554) has the molecular formula C15H12Br2ClNO2 and a molecular weight of 433.53 g/mol. Its IUPAC name is 4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-3-chlorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-3-chlorobenzamide
PubChem CID81295554
Molecular FormulaC15H12Br2ClNO2
Molecular Weight433.53 g/mol
Exact Mass430.89
IUPAC Name4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-3-chlorobenzamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H12Br2ClNO2/c1-8-5-10(16)7-13(21-2)14(8)19-15(20)9-3-4-11(17)12(18)6-9/h3-7H,1-2H3,(H,19,20)
InChIKeySFRIEDZOEBFRMU-UHFFFAOYSA-N
XLogP5.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-4-chlorobenzamide
CID 60928593
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-4-chlorobenzamide
CID 107999136
N-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79737466
N-(4-bromo-2-methoxy-6-methylphenyl)-3,6-dichloropyridine-2-carboxamide
CID 60811575
4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 81307448
4-amino-N-(4-bromo-2,6-dimethylphenyl)-3-methoxybenzamide
CID 104782360
4-bromo-3-chloro-N-(2-chloro-6-methylphenyl)benzamide
CID 81002737
4,5-dibromo-N-(4-bromo-2-methoxy-6-methylphenyl)thiophene-2-carboxamide
CID 80536467
5-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)pyridine-2-carboxamide
CID 62954905
N-(4-bromo-2-methoxy-6-methylphenyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81227978
N-(4-bromo-2-ethyl-6-methylphenyl)-4-methoxy-3-methylbenzamide
CID 100801729
4-bromo-3-chloro-N-(2-fluoro-6-methylphenyl)benzamide
CID 113352699

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-3-chlorobenzamide?
The IUPAC name of 4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-3-chlorobenzamide (CID 81295554) is 4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-3-chlorobenzamide.
What is the SMILES notation for 4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-3-chlorobenzamide?
The canonical SMILES for 4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-3-chlorobenzamide is COc1cc(Br)cc(C)c1NC(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-3-chlorobenzamide?
The InChIKey is SFRIEDZOEBFRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2ClNO2/c1-8-5-10(16)7-13(21-2)14(8)19-15(20)9-3-4-11(17)12(18)6-9/h3-7H,1-2H3,(H,19,20).
What are the key properties of 4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-3-chlorobenzamide?
4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-3-chlorobenzamide has a molecular weight of 433.53 g/mol, XLogP of 5.43, 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-bromo-2-methoxy-6-methylphenyl)-3-chlorobenzamide is sourced from PubChem (CID 81295554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).