5-chloro-N-[(3-methylphenyl)methyl]-1-benzofuran-2-carboxamide

C17H14ClNO2 — CID 38294036

IUPAC5-chloro-N-[(3-methylphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1cccc(CNC(=O)c2cc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C17H14ClNO2/c1-11-3-2-4-12(7-11)10-19-17(20)16-9-13-8-14(18)5-6-15(13)21-16/h2-9H,10H2,1H3,(H,19,20)
InChIKeyJIICWWNSKBBTRU-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.32
Rot. Bonds3

About 5-chloro-N-[(3-methylphenyl)methyl]-1-benzofuran-2-carboxamide

5-chloro-N-[(3-methylphenyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 38294036) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 5-chloro-N-[(3-methylphenyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3-methylphenyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID38294036
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name5-chloro-N-[(3-methylphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1cccc(CNC(=O)c2cc3cc(Cl)ccc3o2)c1
InChIInChI=1S/C17H14ClNO2/c1-11-3-2-4-12(7-11)10-19-17(20)16-9-13-8-14(18)5-6-15(13)21-16/h2-9H,10H2,1H3,(H,19,20)
InChIKeyJIICWWNSKBBTRU-UHFFFAOYSA-N
XLogP4.32
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 59661959
5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9269145
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-1-benzofuran-2-carboxamide
CID 9036179
5-chloro-N-[(2-methylsulfanylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 11616917
5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 51303988
N-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
CID 115598745
5-amino-N-benzyl-1-benzofuran-2-carboxamide
CID 61089712
N-[2-(3-chlorophenyl)ethyl]-6-methyl-1-benzofuran-2-carboxamide
CID 112529537
5-chloro-N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9427401
2,6-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 159197280
5-chloro-N-(2,6-difluorophenyl)-1-benzofuran-2-carboxamide
CID 51217226
4-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
CID 28748811

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-methylphenyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[(3-methylphenyl)methyl]-1-benzofuran-2-carboxamide (CID 38294036) is 5-chloro-N-[(3-methylphenyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3-methylphenyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(3-methylphenyl)methyl]-1-benzofuran-2-carboxamide is Cc1cccc(CNC(=O)c2cc3cc(Cl)ccc3o2)c1.
What is the InChIKey of 5-chloro-N-[(3-methylphenyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is JIICWWNSKBBTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-11-3-2-4-12(7-11)10-19-17(20)16-9-13-8-14(18)5-6-15(13)21-16/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 5-chloro-N-[(3-methylphenyl)methyl]-1-benzofuran-2-carboxamide?
5-chloro-N-[(3-methylphenyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 299.76 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-methylphenyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 38294036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).