3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide

C16H11ClN2O3 — CID 587379

IUPAC3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2O3/c17-10-7-5-9(6-8-10)16(21)19-13-11-3-1-2-4-12(11)22-14(13)15(18)20/h1-8H,(H2,18,20)(H,19,21)
InChIKeyPYPZZYAVLPWJBT-UHFFFAOYSA-N
MW314.73 g/mol
LogP3.44
Rot. Bonds3

About 3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide

3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide (PubChem CID 587379) has the molecular formula C16H11ClN2O3 and a molecular weight of 314.73 g/mol. Its IUPAC name is 3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide
PubChem CID587379
Molecular FormulaC16H11ClN2O3
Molecular Weight314.73 g/mol
Exact Mass314.05
IUPAC Name3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2O3/c17-10-7-5-9(6-8-10)16(21)19-13-11-3-1-2-4-12(11)22-14(13)15(18)20/h1-8H,(H2,18,20)(H,19,21)
InChIKeyPYPZZYAVLPWJBT-UHFFFAOYSA-N
XLogP3.44
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzamido-5-chloro-1-benzofuran-2-carboxamide
CID 19661939
3-[[4-(dimethylamino)benzoyl]amino]-1-benzofuran-2-carboxamide
CID 5051440
3-[(4-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 3517374
3-[[4-(2-methylpropanoylamino)benzoyl]amino]-1-benzofuran-2-carboxamide
CID 167790473
4-chloro-N-[2-(thiophene-2-carbonyl)-1-benzofuran-3-yl]benzamide
CID 2138486
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide
CID 4067766
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
CID 19114627
4-chloro-N-[3-(4-chlorobenzoyl)-1-benzofuran-2-yl]benzamide
CID 132602656
3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1-benzofuran-2-carboxamide
CID 3456999
3-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 3608343
3-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 16822812
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2,2-dimethylpropanamide
CID 4067768

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide (CID 587379) is 3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide is NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide?
The InChIKey is PYPZZYAVLPWJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O3/c17-10-7-5-9(6-8-10)16(21)19-13-11-3-1-2-4-12(11)22-14(13)15(18)20/h1-8H,(H2,18,20)(H,19,21).
What are the key properties of 3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide?
3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide has a molecular weight of 314.73 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 587379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).