2-(5-chloro-1-benzofuran-3-yl)-N-naphthalen-1-ylacetamide

C20H14ClNO2 — CID 18860319

IUPAC2-(5-chloro-1-benzofuran-3-yl)-N-naphthalen-1-ylacetamide
SMILESO=C(Cc1coc2ccc(Cl)cc12)Nc1cccc2ccccc12
InChIInChI=1S/C20H14ClNO2/c21-15-8-9-19-17(11-15)14(12-24-19)10-20(23)22-18-7-3-5-13-4-1-2-6-16(13)18/h1-9,11-12H,10H2,(H,22,23)
InChIKeyJIEDKCRSQGMEPP-UHFFFAOYSA-N
MW335.79 g/mol
LogP5.42
Rot. Bonds3

About 2-(5-chloro-1-benzofuran-3-yl)-N-naphthalen-1-ylacetamide

2-(5-chloro-1-benzofuran-3-yl)-N-naphthalen-1-ylacetamide (PubChem CID 18860319) has the molecular formula C20H14ClNO2 and a molecular weight of 335.79 g/mol. Its IUPAC name is 2-(5-chloro-1-benzofuran-3-yl)-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(5-chloro-1-benzofuran-3-yl)-N-naphthalen-1-ylacetamide
PubChem CID18860319
Molecular FormulaC20H14ClNO2
Molecular Weight335.79 g/mol
Exact Mass335.07
IUPAC Name2-(5-chloro-1-benzofuran-3-yl)-N-naphthalen-1-ylacetamide
SMILESO=C(Cc1coc2ccc(Cl)cc12)Nc1cccc2ccccc12
InChIInChI=1S/C20H14ClNO2/c21-15-8-9-19-17(11-15)14(12-24-19)10-20(23)22-18-7-3-5-13-4-1-2-6-16(13)18/h1-9,11-12H,10H2,(H,22,23)
InChIKeyJIEDKCRSQGMEPP-UHFFFAOYSA-N
XLogP5.42
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.79
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzo[e][1]benzofuran-1-yl-N-(2-chlorophenyl)acetamide
CID 829773
2-(5-chloro-1-benzofuran-3-yl)-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]acetamide
CID 18860958
2-(5-chloro-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 18860311
N-(3-chlorophenyl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 18860141
2-(5-chloro-1-benzofuran-3-yl)acetate
CID 9158984
N-(3-chloro-2-methylphenyl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 18860265
2-(5-chloro-1-benzofuran-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18860950
(5-chloro-1-benzofuran-3-yl)methanol
CID 3757833
2-(2-fluorophenyl)-N-naphthalen-1-ylacetamide
CID 836511
N-butan-2-yl-2-(5-chloro-1-benzofuran-3-yl)acetamide
CID 110488755
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
N-naphthalen-1-yl-2-naphthalen-2-ylacetamide
CID 16849654

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-benzofuran-3-yl)-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(5-chloro-1-benzofuran-3-yl)-N-naphthalen-1-ylacetamide (CID 18860319) is 2-(5-chloro-1-benzofuran-3-yl)-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(5-chloro-1-benzofuran-3-yl)-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(5-chloro-1-benzofuran-3-yl)-N-naphthalen-1-ylacetamide is O=C(Cc1coc2ccc(Cl)cc12)Nc1cccc2ccccc12.
What is the InChIKey of 2-(5-chloro-1-benzofuran-3-yl)-N-naphthalen-1-ylacetamide?
The InChIKey is JIEDKCRSQGMEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO2/c21-15-8-9-19-17(11-15)14(12-24-19)10-20(23)22-18-7-3-5-13-4-1-2-6-16(13)18/h1-9,11-12H,10H2,(H,22,23).
What are the key properties of 2-(5-chloro-1-benzofuran-3-yl)-N-naphthalen-1-ylacetamide?
2-(5-chloro-1-benzofuran-3-yl)-N-naphthalen-1-ylacetamide has a molecular weight of 335.79 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-benzofuran-3-yl)-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 18860319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).