N-[(4-chlorophenyl)methyl]-1-benzofuran-2-carboxamide

C16H12ClNO2 — CID 768436

IUPACN-[(4-chlorophenyl)methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc2ccccc2o1
InChIInChI=1S/C16H12ClNO2/c17-13-7-5-11(6-8-13)10-18-16(19)15-9-12-3-1-2-4-14(12)20-15/h1-9H,10H2,(H,18,19)
InChIKeyGKWVCPLECXPFDO-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.02
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-1-benzofuran-2-carboxamide

N-[(4-chlorophenyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 768436) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID768436
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC NameN-[(4-chlorophenyl)methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc2ccccc2o1
InChIInChI=1S/C16H12ClNO2/c17-13-7-5-11(6-8-13)10-18-16(19)15-9-12-3-1-2-4-14(12)20-15/h1-9H,10H2,(H,18,19)
InChIKeyGKWVCPLECXPFDO-UHFFFAOYSA-N
XLogP4.02
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CL82198
CID 2777
Befuraline
CID 68664
2-Benzofurancarboxamide, N-methyl-
CID 660372
Befuraline hydrochloride
CID 73346
4-((3-Methyl-1-benzofuran-2-YL)carbonyl)morpholine
CID 768761
N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 2788390
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 725650
1-(1-Benzofuran-2-ylcarbonyl)-4-methylpiperidine
CID 977492
1-[5-(4-Chlorophenyl)-2-furoyl]piperazine
CID 24857857
5-(4-chlorophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 44182306
Hdac3-IN-8
CID 166628045
5-chloro-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 166635378

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-benzofuran-2-carboxamide (CID 768436) is N-[(4-chlorophenyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-benzofuran-2-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cc2ccccc2o1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is GKWVCPLECXPFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c17-13-7-5-11(6-8-13)10-18-16(19)15-9-12-3-1-2-4-14(12)20-15/h1-9H,10H2,(H,18,19).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-benzofuran-2-carboxamide?
N-[(4-chlorophenyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 285.73 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 768436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).