methyl 4-[(3-bromo-5-methylbenzoyl)amino]benzoate

C16H14BrNO3 — CID 104852016

IUPACmethyl 4-[(3-bromo-5-methylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(C)cc(Br)c2)cc1
InChIInChI=1S/C16H14BrNO3/c1-10-7-12(9-13(17)8-10)15(19)18-14-5-3-11(4-6-14)16(20)21-2/h3-9H,1-2H3,(H,18,19)
InChIKeyYJOYMAWXEZXWDV-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.80
Rot. Bonds3

About methyl 4-[(3-bromo-5-methylbenzoyl)amino]benzoate

methyl 4-[(3-bromo-5-methylbenzoyl)amino]benzoate (PubChem CID 104852016) has the molecular formula C16H14BrNO3 and a molecular weight of 348.20 g/mol. Its IUPAC name is methyl 4-[(3-bromo-5-methylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(3-bromo-5-methylbenzoyl)amino]benzoate
PubChem CID104852016
Molecular FormulaC16H14BrNO3
Molecular Weight348.20 g/mol
Exact Mass347.02
IUPAC Namemethyl 4-[(3-bromo-5-methylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(C)cc(Br)c2)cc1
InChIInChI=1S/C16H14BrNO3/c1-10-7-12(9-13(17)8-10)15(19)18-14-5-3-11(4-6-14)16(20)21-2/h3-9H,1-2H3,(H,18,19)
InChIKeyYJOYMAWXEZXWDV-UHFFFAOYSA-N
XLogP3.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-3-bromo-5-methylbenzamide
CID 104851617
methyl 4-[(3-hydroxy-5-methylbenzoyl)amino]benzoate
CID 176550811
ethane;methyl 3-bromo-5-methylbenzoate
CID 143959951
3-bromo-N-(3,5-dimethoxyphenyl)-5-methylbenzamide
CID 104851763
methyl 4-[(3,5-dimethylbenzoyl)carbamothioylamino]benzoate
CID 918694
3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide
CID 113460801
3,5-dibromo-N-(4-methoxyphenyl)benzamide
CID 114023535
3-bromo-N-(3,4-dicyanophenyl)-5-methylbenzamide
CID 104854750
methyl 4-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamoyl]benzoate
CID 17178369
3-bromo-5-methyl-N-(3-propan-2-ylphenyl)benzamide
CID 86695860
3-bromo-N-(6-fluoro-3-pyridinyl)-5-methylbenzamide
CID 113461587
5-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 104850638

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-bromo-5-methylbenzoyl)amino]benzoate?
The IUPAC name of methyl 4-[(3-bromo-5-methylbenzoyl)amino]benzoate (CID 104852016) is methyl 4-[(3-bromo-5-methylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(3-bromo-5-methylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 4-[(3-bromo-5-methylbenzoyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2cc(C)cc(Br)c2)cc1.
What is the InChIKey of methyl 4-[(3-bromo-5-methylbenzoyl)amino]benzoate?
The InChIKey is YJOYMAWXEZXWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO3/c1-10-7-12(9-13(17)8-10)15(19)18-14-5-3-11(4-6-14)16(20)21-2/h3-9H,1-2H3,(H,18,19).
What are the key properties of methyl 4-[(3-bromo-5-methylbenzoyl)amino]benzoate?
methyl 4-[(3-bromo-5-methylbenzoyl)amino]benzoate has a molecular weight of 348.20 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-bromo-5-methylbenzoyl)amino]benzoate is sourced from PubChem (CID 104852016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).