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

C15H13BrClNO2 — CID 103841734

IUPAC3-bromo-4-chloro-N-(2-methoxy-4-methylphenyl)benzamide
SMILESCOc1cc(C)ccc1NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H13BrClNO2/c1-9-3-6-13(14(7-9)20-2)18-15(19)10-4-5-12(17)11(16)8-10/h3-8H,1-2H3,(H,18,19)
InChIKeyVQLFHGBCMRPLAG-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.67
Rot. Bonds3

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

3-bromo-4-chloro-N-(2-methoxy-4-methylphenyl)benzamide (PubChem CID 103841734) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(2-methoxy-4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(2-methoxy-4-methylphenyl)benzamide
PubChem CID103841734
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Name3-bromo-4-chloro-N-(2-methoxy-4-methylphenyl)benzamide
SMILESCOc1cc(C)ccc1NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H13BrClNO2/c1-9-3-6-13(14(7-9)20-2)18-15(19)10-4-5-12(17)11(16)8-10/h3-8H,1-2H3,(H,18,19)
InChIKeyVQLFHGBCMRPLAG-UHFFFAOYSA-N
XLogP4.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 54.67
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-4-chloro-N-(2-fluoro-4-methylphenyl)benzamide
CID 103841501
3-bromo-N-(5-bromo-2-methoxyphenyl)-4-chlorobenzamide
CID 107999128
2-bromo-N-(2-methoxy-4-methylphenyl)pyridine-4-carboxamide
CID 103754736
3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 81456873
3-bromo-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 103988699
N-(2-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide
CID 107997479
3-bromo-4-chloro-N-(3,5-dimethylphenyl)benzamide
CID 107999218
4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid
CID 107997716
4-chloro-3-iodo-N-[2-(2-methoxyethoxy)-4-methylphenyl]benzamide
CID 55891092
3-bromo-N-(2-bromo-4-chlorophenyl)-4-methoxybenzamide
CID 81027184
N-(3-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide
CID 107990051

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(2-methoxy-4-methylphenyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(2-methoxy-4-methylphenyl)benzamide (CID 103841734) is 3-bromo-4-chloro-N-(2-methoxy-4-methylphenyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(2-methoxy-4-methylphenyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(2-methoxy-4-methylphenyl)benzamide is COc1cc(C)ccc1NC(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(2-methoxy-4-methylphenyl)benzamide?
The InChIKey is VQLFHGBCMRPLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c1-9-3-6-13(14(7-9)20-2)18-15(19)10-4-5-12(17)11(16)8-10/h3-8H,1-2H3,(H,18,19).
What are the key properties of 3-bromo-4-chloro-N-(2-methoxy-4-methylphenyl)benzamide?
3-bromo-4-chloro-N-(2-methoxy-4-methylphenyl)benzamide has a molecular weight of 354.63 g/mol, XLogP of 4.67, 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-(2-methoxy-4-methylphenyl)benzamide is sourced from PubChem (CID 103841734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).