N-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide

C22H14Cl2N2O3 — CID 1107583

IUPACN-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1cc2ccccc2o1
InChIInChI=1S/C22H14Cl2N2O3/c23-14-5-10-17(18(24)12-14)21(27)25-15-6-8-16(9-7-15)26-22(28)20-11-13-3-1-2-4-19(13)29-20/h1-12H,(H,25,27)(H,26,28)
InChIKeyXNYUJJVHLBBFFO-UHFFFAOYSA-N
MW425.27 g/mol
LogP6.24
Rot. Bonds4

About N-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide

N-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 1107583) has the molecular formula C22H14Cl2N2O3 and a molecular weight of 425.27 g/mol. Its IUPAC name is N-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
PubChem CID1107583
Molecular FormulaC22H14Cl2N2O3
Molecular Weight425.27 g/mol
Exact Mass424.04
IUPAC NameN-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1cc2ccccc2o1
InChIInChI=1S/C22H14Cl2N2O3/c23-14-5-10-17(18(24)12-14)21(27)25-15-6-8-16(9-7-15)26-22(28)20-11-13-3-1-2-4-19(13)29-20/h1-12H,(H,25,27)(H,26,28)
InChIKeyXNYUJJVHLBBFFO-UHFFFAOYSA-N
XLogP6.24
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.27
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide 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

N-[4-[[5-(2,5-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 17117653
N-(3-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 24708217
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
N-(2-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 24697022
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide
CID 40957496
N-[3-[(3-chlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 1136389
N-(3,5-dichloro-2-hydroxyphenyl)-1-benzofuran-2-carboxamide
CID 103891115
5-chloro-N-(3,5-dichlorophenyl)-1-benzofuran-2-carboxamide
CID 19240955
N-[4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 17117664
N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 744283
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
2-[(4-fluorosulfonyloxyphenyl)carbamoyl]-1-benzofuran
CID 146097133

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide (CID 1107583) is N-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide is O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1cc2ccccc2o1.
What is the InChIKey of N-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is XNYUJJVHLBBFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N2O3/c23-14-5-10-17(18(24)12-14)21(27)25-15-6-8-16(9-7-15)26-22(28)20-11-13-3-1-2-4-19(13)29-20/h1-12H,(H,25,27)(H,26,28).
What are the key properties of N-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide?
N-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 425.27 g/mol, XLogP of 6.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1107583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).