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

C22H15ClN2O3 — CID 1136389

IUPACN-[3-[(3-chlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cc3ccccc3o2)c1)c1cccc(Cl)c1
InChIInChI=1S/C22H15ClN2O3/c23-16-7-3-6-15(11-16)21(26)24-17-8-4-9-18(13-17)25-22(27)20-12-14-5-1-2-10-19(14)28-20/h1-13H,(H,24,26)(H,25,27)
InChIKeyDWBPSGLGFNILQK-UHFFFAOYSA-N
MW390.83 g/mol
LogP5.59
Rot. Bonds4

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

N-[3-[(3-chlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 1136389) has the molecular formula C22H15ClN2O3 and a molecular weight of 390.83 g/mol. Its IUPAC name is N-[3-[(3-chlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-chlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
PubChem CID1136389
Molecular FormulaC22H15ClN2O3
Molecular Weight390.83 g/mol
Exact Mass390.08
IUPAC NameN-[3-[(3-chlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cc3ccccc3o2)c1)c1cccc(Cl)c1
InChIInChI=1S/C22H15ClN2O3/c23-16-7-3-6-15(11-16)21(26)24-17-8-4-9-18(13-17)25-22(27)20-12-14-5-1-2-10-19(14)28-20/h1-13H,(H,24,26)(H,25,27)
InChIKeyDWBPSGLGFNILQK-UHFFFAOYSA-N
XLogP5.59
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.83
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 22775944
N-[3-[(3-chlorobenzoyl)amino]phenyl]naphthalene-2-carboxamide
CID 1366118
N-(3-bromophenyl)-1-benzofuran-2-carboxamide
CID 802478
N-[3-[(2-cyanoacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 168521643
N-[3-[(3-bromobenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide
CID 17112130
N-(3-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 24708217
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide
CID 35554073
N-[3-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 1232080
N-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 1107583
3-chloro-N-[4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]benzamide
CID 3322024

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-chlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-[(3-chlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide (CID 1136389) is N-[3-[(3-chlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-[(3-chlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-[(3-chlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide is O=C(Nc1cccc(NC(=O)c2cc3ccccc3o2)c1)c1cccc(Cl)c1.
What is the InChIKey of N-[3-[(3-chlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is DWBPSGLGFNILQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O3/c23-16-7-3-6-15(11-16)21(26)24-17-8-4-9-18(13-17)25-22(27)20-12-14-5-1-2-10-19(14)28-20/h1-13H,(H,24,26)(H,25,27).
What are the key properties of N-[3-[(3-chlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide?
N-[3-[(3-chlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 390.83 g/mol, XLogP of 5.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-chlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1136389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).