methyl 2-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate

C17H12BrNO4 — CID 19225311

IUPACmethyl 2-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C17H12BrNO4/c1-22-17(21)12-4-2-3-5-13(12)19-16(20)15-9-10-8-11(18)6-7-14(10)23-15/h2-9H,1H3,(H,19,20)
InChIKeyPLGBBSQWALSHMT-UHFFFAOYSA-N
MW374.19 g/mol
LogP4.23
Rot. Bonds3

About methyl 2-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate

methyl 2-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate (PubChem CID 19225311) has the molecular formula C17H12BrNO4 and a molecular weight of 374.19 g/mol. Its IUPAC name is methyl 2-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate
PubChem CID19225311
Molecular FormulaC17H12BrNO4
Molecular Weight374.19 g/mol
Exact Mass372.99
IUPAC Namemethyl 2-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C17H12BrNO4/c1-22-17(21)12-4-2-3-5-13(12)19-16(20)15-9-10-8-11(18)6-7-14(10)23-15/h2-9H,1H3,(H,19,20)
InChIKeyPLGBBSQWALSHMT-UHFFFAOYSA-N
XLogP4.23
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(5-bromo-1-benzofuran-2-carbonyl)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

5-bromo-N-(2-chlorophenyl)-1-benzofuran-2-carboxamide
CID 2988849
methyl 2-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 728836
5-bromo-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 2986420
5-bromo-N-(2,4-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 19225280
5-bromo-N-(2-thiophen-2-ylphenyl)-1-benzofuran-2-carboxamide
CID 75414714
methyl 5-bromo-2-[(2-bromobenzoyl)amino]benzoate
CID 19168688
5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide
CID 19225293
N-(4-bromo-2-ethylphenyl)-1-benzofuran-2-carboxamide
CID 80999240
methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
N-(4-bromo-2-methylphenyl)-5-chloro-1-benzofuran-2-carboxamide
CID 9159182
5-bromo-N-(2,5-dimethylpyrrol-1-yl)-1-benzofuran-2-carboxamide
CID 43822479
N-(3-bromophenyl)-5-methoxy-1-benzofuran-2-carboxamide
CID 51432230

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate (CID 19225311) is methyl 2-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cc2cc(Br)ccc2o1.
What is the InChIKey of methyl 2-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate?
The InChIKey is PLGBBSQWALSHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO4/c1-22-17(21)12-4-2-3-5-13(12)19-16(20)15-9-10-8-11(18)6-7-14(10)23-15/h2-9H,1H3,(H,19,20).
What are the key properties of methyl 2-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate?
methyl 2-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate has a molecular weight of 374.19 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-bromo-1-benzofuran-2-carbonyl)amino]benzoate is sourced from PubChem (CID 19225311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).