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

C15H11ClN2O2 — CID 24697022

IUPACN-(2-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide
SMILESNc1cc(Cl)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C15H11ClN2O2/c16-10-5-6-12(11(17)8-10)18-15(19)14-7-9-3-1-2-4-13(9)20-14/h1-8H,17H2,(H,18,19)
InChIKeyDVOOUWLQNPMHCB-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.92
Rot. Bonds2

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

N-(2-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide (PubChem CID 24697022) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide
PubChem CID24697022
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC NameN-(2-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide
SMILESNc1cc(Cl)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C15H11ClN2O2/c16-10-5-6-12(11(17)8-10)18-15(19)14-7-9-3-1-2-4-13(9)20-14/h1-8H,17H2,(H,18,19)
InChIKeyDVOOUWLQNPMHCB-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-(3,5-dichloro-2-hydroxyphenyl)-1-benzofuran-2-carboxamide
CID 103891115
N-(5-chloro-2-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide
CID 7922537
N-(3-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 24708217
5-chloro-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 9138991
N-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 1107583
N-(2-amino-6-fluorophenyl)-1-benzofuran-2-carboxamide
CID 81315294
5-chloro-N-(4-chloro-2-methylphenyl)-1-benzofuran-2-carboxamide
CID 9138973
3,4-bis(1-benzofuran-2-carbonylamino)benzoic acid
CID 17296766
N-(2,4-dichlorophenyl)-1-oxoisochromene-3-carboxamide
CID 4905455
3-(1-benzofuran-2-carbonylamino)-4-fluorobenzoic acid
CID 75414482
N-[3-[(3-chlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 1136389
N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 2670112

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide (CID 24697022) is N-(2-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide is Nc1cc(Cl)ccc1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide?
The InChIKey is DVOOUWLQNPMHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-10-5-6-12(11(17)8-10)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-(2-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide?
N-(2-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-(2-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24697022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).