methyl 3-[(5-bromo-2-methylbenzoyl)amino]benzoate

C16H14BrNO3 — CID 65311803

IUPACmethyl 3-[(5-bromo-2-methylbenzoyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cc(Br)ccc2C)c1
InChIInChI=1S/C16H14BrNO3/c1-10-6-7-12(17)9-14(10)15(19)18-13-5-3-4-11(8-13)16(20)21-2/h3-9H,1-2H3,(H,18,19)
InChIKeyMCOSFGHVPVXGEE-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.80
Rot. Bonds3

About methyl 3-[(5-bromo-2-methylbenzoyl)amino]benzoate

methyl 3-[(5-bromo-2-methylbenzoyl)amino]benzoate (PubChem CID 65311803) has the molecular formula C16H14BrNO3 and a molecular weight of 348.20 g/mol. Its IUPAC name is methyl 3-[(5-bromo-2-methylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(5-bromo-2-methylbenzoyl)amino]benzoate
PubChem CID65311803
Molecular FormulaC16H14BrNO3
Molecular Weight348.20 g/mol
Exact Mass347.02
IUPAC Namemethyl 3-[(5-bromo-2-methylbenzoyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cc(Br)ccc2C)c1
InChIInChI=1S/C16H14BrNO3/c1-10-6-7-12(17)9-14(10)15(19)18-13-5-3-4-11(8-13)16(20)21-2/h3-9H,1-2H3,(H,18,19)
InChIKeyMCOSFGHVPVXGEE-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

Analyze methyl 3-[(5-bromo-2-methylbenzoyl)amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-bromo-2-methylbenzoyl)amino]benzoic acid
CID 65306133
5-bromo-N-(3-iodophenyl)-2-methylbenzamide
CID 65308257
5-bromo-N-(3-fluorophenyl)-2-methylbenzamide
CID 65306774
methyl 3-[(2,5-dimethylthiophene-3-carbonyl)amino]benzoate
CID 17417091
5-bromo-N-[3-(dimethylamino)phenyl]-2-methylbenzamide
CID 115377789
methyl 3-[(5-bromopyridine-2-carbonyl)amino]benzoate
CID 62958863
5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide
CID 3979736
methyl 3-[[2-methyl-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 26886954
2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid
CID 746419
5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide
CID 65307111
methyl 3-[(2-benzoylbenzoyl)amino]benzoate
CID 26922776
methyl 3-[[3-(4-bromoanilino)-3-oxopropanoyl]amino]benzoate
CID 108955494

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-bromo-2-methylbenzoyl)amino]benzoate?
The IUPAC name of methyl 3-[(5-bromo-2-methylbenzoyl)amino]benzoate (CID 65311803) is methyl 3-[(5-bromo-2-methylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(5-bromo-2-methylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 3-[(5-bromo-2-methylbenzoyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2cc(Br)ccc2C)c1.
What is the InChIKey of methyl 3-[(5-bromo-2-methylbenzoyl)amino]benzoate?
The InChIKey is MCOSFGHVPVXGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO3/c1-10-6-7-12(17)9-14(10)15(19)18-13-5-3-4-11(8-13)16(20)21-2/h3-9H,1-2H3,(H,18,19).
What are the key properties of methyl 3-[(5-bromo-2-methylbenzoyl)amino]benzoate?
methyl 3-[(5-bromo-2-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 3-[(5-bromo-2-methylbenzoyl)amino]benzoate is sourced from PubChem (CID 65311803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).