N-[2-(3-chlorophenyl)ethyl]-6-methyl-1-benzofuran-2-carboxamide

C18H16ClNO2 — CID 112529537

IUPACN-[2-(3-chlorophenyl)ethyl]-6-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2cc(C(=O)NCCc3cccc(Cl)c3)oc2c1
InChIInChI=1S/C18H16ClNO2/c1-12-5-6-14-11-17(22-16(14)9-12)18(21)20-8-7-13-3-2-4-15(19)10-13/h2-6,9-11H,7-8H2,1H3,(H,20,21)
InChIKeyGDMSBDIQHRJCPO-UHFFFAOYSA-N
MW313.78 g/mol
LogP4.37
Rot. Bonds4

About N-[2-(3-chlorophenyl)ethyl]-6-methyl-1-benzofuran-2-carboxamide

N-[2-(3-chlorophenyl)ethyl]-6-methyl-1-benzofuran-2-carboxamide (PubChem CID 112529537) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-6-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-6-methyl-1-benzofuran-2-carboxamide
PubChem CID112529537
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-6-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2cc(C(=O)NCCc3cccc(Cl)c3)oc2c1
InChIInChI=1S/C18H16ClNO2/c1-12-5-6-14-11-17(22-16(14)9-12)18(21)20-8-7-13-3-2-4-15(19)10-13/h2-6,9-11H,7-8H2,1H3,(H,20,21)
InChIKeyGDMSBDIQHRJCPO-UHFFFAOYSA-N
XLogP4.37
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(3-chlorophenyl)ethyl]-6-methyl-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-(3,5-dichlorophenyl)-6-methyl-1-benzofuran-2-carboxamide
CID 110476557
N-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443636
N-[2-(3-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 26569763
N-[2-(diethylamino)ethyl]-6-methyl-1-benzofuran-2-carboxamide
CID 84575561
5-chloro-N-[(3-methylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 38294036
2-(3-chlorophenyl)ethylurea
CID 127513466
N-(2,5-dichlorophenyl)-6-methyl-1-benzofuran-2-carboxamide
CID 110476452
N-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
CID 108984728
3-amino-5-bromo-N-[2-(3-chlorophenyl)ethyl]-2-methylbenzamide
CID 107872355
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
N-[2-(3-chlorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108945758
1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043911

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-6-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-6-methyl-1-benzofuran-2-carboxamide (CID 112529537) is N-[2-(3-chlorophenyl)ethyl]-6-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-6-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-6-methyl-1-benzofuran-2-carboxamide is Cc1ccc2cc(C(=O)NCCc3cccc(Cl)c3)oc2c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-6-methyl-1-benzofuran-2-carboxamide?
The InChIKey is GDMSBDIQHRJCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2/c1-12-5-6-14-11-17(22-16(14)9-12)18(21)20-8-7-13-3-2-4-15(19)10-13/h2-6,9-11H,7-8H2,1H3,(H,20,21).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-6-methyl-1-benzofuran-2-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-6-methyl-1-benzofuran-2-carboxamide has a molecular weight of 313.78 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-6-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 112529537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).