3-[(2-naphthalen-1-ylacetyl)amino]-N-phenyl-1-benzofuran-2-carboxamide

C27H20N2O3 — CID 16814293

IUPAC3-[(2-naphthalen-1-ylacetyl)amino]-N-phenyl-1-benzofuran-2-carboxamide
SMILESO=C(Cc1cccc2ccccc12)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12
InChIInChI=1S/C27H20N2O3/c30-24(17-19-11-8-10-18-9-4-5-14-21(18)19)29-25-22-15-6-7-16-23(22)32-26(25)27(31)28-20-12-2-1-3-13-20/h1-16H,17H2,(H,28,31)(H,29,30)
InChIKeyXNQRAUXLTWODLQ-UHFFFAOYSA-N
MW420.47 g/mol
LogP6.02
Rot. Bonds5

About 3-[(2-naphthalen-1-ylacetyl)amino]-N-phenyl-1-benzofuran-2-carboxamide

3-[(2-naphthalen-1-ylacetyl)amino]-N-phenyl-1-benzofuran-2-carboxamide (PubChem CID 16814293) has the molecular formula C27H20N2O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 3-[(2-naphthalen-1-ylacetyl)amino]-N-phenyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(2-naphthalen-1-ylacetyl)amino]-N-phenyl-1-benzofuran-2-carboxamide
PubChem CID16814293
Molecular FormulaC27H20N2O3
Molecular Weight420.47 g/mol
Exact Mass420.15
IUPAC Name3-[(2-naphthalen-1-ylacetyl)amino]-N-phenyl-1-benzofuran-2-carboxamide
SMILESO=C(Cc1cccc2ccccc12)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12
InChIInChI=1S/C27H20N2O3/c30-24(17-19-11-8-10-18-9-4-5-14-21(18)19)29-25-22-15-6-7-16-23(22)32-26(25)27(31)28-20-12-2-1-3-13-20/h1-16H,17H2,(H,28,31)(H,29,30)
InChIKeyXNQRAUXLTWODLQ-UHFFFAOYSA-N
XLogP6.02
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814295
3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 18861686
3-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 18861171
3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 1267238
N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7116970
N-(4-ethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875357
3-(3-cyclohexylpropanoylamino)-N-phenyl-1-benzofuran-2-carboxamide
CID 7159624
N-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875320
3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7117000
3-[[(2R)-2-phenoxypropanoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 7159658
3-[(2-chloro-6-fluorobenzoyl)amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 7159647
N-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20875391

Frequently Asked Questions

What is the IUPAC name of 3-[(2-naphthalen-1-ylacetyl)amino]-N-phenyl-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(2-naphthalen-1-ylacetyl)amino]-N-phenyl-1-benzofuran-2-carboxamide (CID 16814293) is 3-[(2-naphthalen-1-ylacetyl)amino]-N-phenyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(2-naphthalen-1-ylacetyl)amino]-N-phenyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(2-naphthalen-1-ylacetyl)amino]-N-phenyl-1-benzofuran-2-carboxamide is O=C(Cc1cccc2ccccc12)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12.
What is the InChIKey of 3-[(2-naphthalen-1-ylacetyl)amino]-N-phenyl-1-benzofuran-2-carboxamide?
The InChIKey is XNQRAUXLTWODLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O3/c30-24(17-19-11-8-10-18-9-4-5-14-21(18)19)29-25-22-15-6-7-16-23(22)32-26(25)27(31)28-20-12-2-1-3-13-20/h1-16H,17H2,(H,28,31)(H,29,30).
What are the key properties of 3-[(2-naphthalen-1-ylacetyl)amino]-N-phenyl-1-benzofuran-2-carboxamide?
3-[(2-naphthalen-1-ylacetyl)amino]-N-phenyl-1-benzofuran-2-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 6.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-naphthalen-1-ylacetyl)amino]-N-phenyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16814293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).