N-(3-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide

C15H11ClN2O2 — CID 24708217

IUPACN-(3-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide
SMILESNc1cc(NC(=O)c2cc3ccccc3o2)ccc1Cl
InChIInChI=1S/C15H11ClN2O2/c16-11-6-5-10(8-12(11)17)18-15(19)14-7-9-3-1-2-4-13(9)20-14/h1-8H,17H2,(H,18,19)
InChIKeyAUTUZIZHWHAFSW-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.92
Rot. Bonds2

About N-(3-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide

N-(3-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide (PubChem CID 24708217) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide
PubChem CID24708217
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC NameN-(3-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide
SMILESNc1cc(NC(=O)c2cc3ccccc3o2)ccc1Cl
InChIInChI=1S/C15H11ClN2O2/c16-11-6-5-10(8-12(11)17)18-15(19)14-7-9-3-1-2-4-13(9)20-14/h1-8H,17H2,(H,18,19)
InChIKeyAUTUZIZHWHAFSW-UHFFFAOYSA-N
XLogP3.92
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 1107583
N-[4-[[5-(2,5-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 17117653
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
N-[4-[[5-(3,4-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 17117664
N-(2-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 24697022
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8873029
N-[3-[(3-chlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 1136389
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 4054605
N-(3-bromophenyl)-1-benzofuran-2-carboxamide
CID 802478
N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 744283
N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 3124109
N-(2-amino-6-fluorophenyl)-1-benzofuran-2-carboxamide
CID 81315294

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide (CID 24708217) is N-(3-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide is Nc1cc(NC(=O)c2cc3ccccc3o2)ccc1Cl.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide?
The InChIKey is AUTUZIZHWHAFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-11-6-5-10(8-12(11)17)18-15(19)14-7-9-3-1-2-4-13(9)20-14/h1-8H,17H2,(H,18,19).
What are the key properties of N-(3-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide?
N-(3-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide has a molecular weight of 286.72 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24708217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).