4-bromo-N-(3-chloro-4-methylphenyl)-2-methoxybenzamide

C15H13BrClNO2 — CID 115369155

IUPAC4-bromo-N-(3-chloro-4-methylphenyl)-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C15H13BrClNO2/c1-9-3-5-11(8-13(9)17)18-15(19)12-6-4-10(16)7-14(12)20-2/h3-8H,1-2H3,(H,18,19)
InChIKeyYTQSBSPEUYFOMX-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.67
Rot. Bonds3

About 4-bromo-N-(3-chloro-4-methylphenyl)-2-methoxybenzamide

4-bromo-N-(3-chloro-4-methylphenyl)-2-methoxybenzamide (PubChem CID 115369155) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is 4-bromo-N-(3-chloro-4-methylphenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-chloro-4-methylphenyl)-2-methoxybenzamide
PubChem CID115369155
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Name4-bromo-N-(3-chloro-4-methylphenyl)-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C15H13BrClNO2/c1-9-3-5-11(8-13(9)17)18-15(19)12-6-4-10(16)7-14(12)20-2/h3-8H,1-2H3,(H,18,19)
InChIKeyYTQSBSPEUYFOMX-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

5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide
CID 65307918
2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzamide
CID 79714244
5-bromo-N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide
CID 17357254
4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide
CID 78987495
4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-2-methoxybenzamide
CID 103745322
4-bromo-2-methoxy-N-(4-propan-2-ylphenyl)benzamide
CID 115369160
4-bromo-N-(5-bromo-2-chlorophenyl)-2-methoxybenzamide
CID 78920099
5-[(5-bromo-2-methoxybenzoyl)amino]-2-methylbenzoic acid
CID 17296186
4-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 78987594
5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 63654704
5-bromo-N-[3-[(5-bromo-2-chlorobenzoyl)amino]-4-methoxyphenyl]-2-chlorobenzamide
CID 3910940
N-(1,3-benzodioxol-5-yl)-4-bromo-2-methoxybenzamide
CID 78987803

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-chloro-4-methylphenyl)-2-methoxybenzamide?
The IUPAC name of 4-bromo-N-(3-chloro-4-methylphenyl)-2-methoxybenzamide (CID 115369155) is 4-bromo-N-(3-chloro-4-methylphenyl)-2-methoxybenzamide.
What is the SMILES notation for 4-bromo-N-(3-chloro-4-methylphenyl)-2-methoxybenzamide?
The canonical SMILES for 4-bromo-N-(3-chloro-4-methylphenyl)-2-methoxybenzamide is COc1cc(Br)ccc1C(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of 4-bromo-N-(3-chloro-4-methylphenyl)-2-methoxybenzamide?
The InChIKey is YTQSBSPEUYFOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c1-9-3-5-11(8-13(9)17)18-15(19)12-6-4-10(16)7-14(12)20-2/h3-8H,1-2H3,(H,18,19).
What are the key properties of 4-bromo-N-(3-chloro-4-methylphenyl)-2-methoxybenzamide?
4-bromo-N-(3-chloro-4-methylphenyl)-2-methoxybenzamide 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 4-bromo-N-(3-chloro-4-methylphenyl)-2-methoxybenzamide is sourced from PubChem (CID 115369155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).