5-bromo-N-(3-chlorophenyl)-2-methoxy-3-methylbenzamide

C15H13BrClNO2 — CID 3353174

IUPAC5-bromo-N-(3-chlorophenyl)-2-methoxy-3-methylbenzamide
SMILESCOc1c(C)cc(Br)cc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H13BrClNO2/c1-9-6-10(16)7-13(14(9)20-2)15(19)18-12-5-3-4-11(17)8-12/h3-8H,1-2H3,(H,18,19)
InChIKeyAQTQMUPKHFBFTI-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.67
Rot. Bonds3

About 5-bromo-N-(3-chlorophenyl)-2-methoxy-3-methylbenzamide

5-bromo-N-(3-chlorophenyl)-2-methoxy-3-methylbenzamide (PubChem CID 3353174) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is 5-bromo-N-(3-chlorophenyl)-2-methoxy-3-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(3-chlorophenyl)-2-methoxy-3-methylbenzamide
PubChem CID3353174
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Name5-bromo-N-(3-chlorophenyl)-2-methoxy-3-methylbenzamide
SMILESCOc1c(C)cc(Br)cc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H13BrClNO2/c1-9-6-10(16)7-13(14(9)20-2)15(19)18-12-5-3-4-11(17)8-12/h3-8H,1-2H3,(H,18,19)
InChIKeyAQTQMUPKHFBFTI-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

3,5-dibromo-N-(3-chlorophenyl)-2-methoxybenzamide
CID 3324491
5-bromo-N-[(3-chlorophenyl)carbamothioyl]-2-methoxy-3-methylbenzamide
CID 22776187
5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide
CID 3979736
5-bromo-2-methoxy-3-methyl-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 3950855
N-(4-acetamidophenyl)-5-bromo-2-methoxy-3-methylbenzamide
CID 5153550
N-(3-acetamidophenyl)-5-chloro-2-methoxy-3-methylbenzamide
CID 110762997
5-bromo-N-(5-chloro-2-methoxyphenyl)-2-methoxy-3-methylbenzamide
CID 3379612
4-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]benzoic acid
CID 28674729
N-(4-benzamido-3-methylphenyl)-5-bromo-2-methoxy-3-methylbenzamide
CID 3433416
5-bromo-2-methoxy-N-(2-methoxyphenyl)-3-methylbenzamide
CID 3550371
2-chloro-N-(3-chlorophenyl)-3-methoxybenzamide
CID 45051393
(2S)-2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 7917269

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-chlorophenyl)-2-methoxy-3-methylbenzamide?
The IUPAC name of 5-bromo-N-(3-chlorophenyl)-2-methoxy-3-methylbenzamide (CID 3353174) is 5-bromo-N-(3-chlorophenyl)-2-methoxy-3-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(3-chlorophenyl)-2-methoxy-3-methylbenzamide?
The canonical SMILES for 5-bromo-N-(3-chlorophenyl)-2-methoxy-3-methylbenzamide is COc1c(C)cc(Br)cc1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 5-bromo-N-(3-chlorophenyl)-2-methoxy-3-methylbenzamide?
The InChIKey is AQTQMUPKHFBFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c1-9-6-10(16)7-13(14(9)20-2)15(19)18-12-5-3-4-11(17)8-12/h3-8H,1-2H3,(H,18,19).
What are the key properties of 5-bromo-N-(3-chlorophenyl)-2-methoxy-3-methylbenzamide?
5-bromo-N-(3-chlorophenyl)-2-methoxy-3-methylbenzamide 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 5-bromo-N-(3-chlorophenyl)-2-methoxy-3-methylbenzamide is sourced from PubChem (CID 3353174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).