methyl 3-[(2-bromobenzoyl)amino]-2-hydroxybenzoate

C15H12BrNO4 — CID 108768060

IUPACmethyl 3-[(2-bromobenzoyl)amino]-2-hydroxybenzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccccc2Br)c1O
InChIInChI=1S/C15H12BrNO4/c1-21-15(20)10-6-4-8-12(13(10)18)17-14(19)9-5-2-3-7-11(9)16/h2-8,18H,1H3,(H,17,19)
InChIKeyFMOQBCSVWVZNSH-UHFFFAOYSA-N
MW350.17 g/mol
LogP3.19
Rot. Bonds3

About methyl 3-[(2-bromobenzoyl)amino]-2-hydroxybenzoate

methyl 3-[(2-bromobenzoyl)amino]-2-hydroxybenzoate (PubChem CID 108768060) has the molecular formula C15H12BrNO4 and a molecular weight of 350.17 g/mol. Its IUPAC name is methyl 3-[(2-bromobenzoyl)amino]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-[(2-bromobenzoyl)amino]-2-hydroxybenzoate
PubChem CID108768060
Molecular FormulaC15H12BrNO4
Molecular Weight350.17 g/mol
Exact Mass348.99
IUPAC Namemethyl 3-[(2-bromobenzoyl)amino]-2-hydroxybenzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccccc2Br)c1O
InChIInChI=1S/C15H12BrNO4/c1-21-15(20)10-6-4-8-12(13(10)18)17-14(19)9-5-2-3-7-11(9)16/h2-8,18H,1H3,(H,17,19)
InChIKeyFMOQBCSVWVZNSH-UHFFFAOYSA-N
XLogP3.19
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze methyl 3-[(2-bromobenzoyl)amino]-2-hydroxybenzoate 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

methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
methyl 5-bromo-2-[(2-bromobenzoyl)amino]benzoate
CID 19168688
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
methyl 4-[(2-bromobenzoyl)amino]-3-hydroxybenzoate
CID 108767103
methyl 3-[(2,4-dichlorobenzoyl)amino]-2-hydroxybenzoate
CID 108745807
methyl 3-(2,2-dimethylpropanoylamino)-2-hydroxybenzoate
CID 23520841
methyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate
CID 108768071
methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate
CID 103763170
methyl 2-[[2-[(2-bromobenzoyl)amino]acetyl]amino]benzoate
CID 112999796
2-bromo-N-(2-fluoro-3-methylphenyl)benzamide
CID 113351864
methyl 3-[(2-chloroacetyl)amino]-2-hydroxybenzoate
CID 50989106
methyl 3-[(2,2-diphenylacetyl)amino]-2-hydroxybenzoate
CID 108768055

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-bromobenzoyl)amino]-2-hydroxybenzoate?
The IUPAC name of methyl 3-[(2-bromobenzoyl)amino]-2-hydroxybenzoate (CID 108768060) is methyl 3-[(2-bromobenzoyl)amino]-2-hydroxybenzoate.
What is the SMILES notation for methyl 3-[(2-bromobenzoyl)amino]-2-hydroxybenzoate?
The canonical SMILES for methyl 3-[(2-bromobenzoyl)amino]-2-hydroxybenzoate is COC(=O)c1cccc(NC(=O)c2ccccc2Br)c1O.
What is the InChIKey of methyl 3-[(2-bromobenzoyl)amino]-2-hydroxybenzoate?
The InChIKey is FMOQBCSVWVZNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO4/c1-21-15(20)10-6-4-8-12(13(10)18)17-14(19)9-5-2-3-7-11(9)16/h2-8,18H,1H3,(H,17,19).
What are the key properties of methyl 3-[(2-bromobenzoyl)amino]-2-hydroxybenzoate?
methyl 3-[(2-bromobenzoyl)amino]-2-hydroxybenzoate has a molecular weight of 350.17 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-bromobenzoyl)amino]-2-hydroxybenzoate is sourced from PubChem (CID 108768060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).