N-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide

C29H22N2O3 — CID 16814295

IUPACN-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12
InChIInChI=1S/C29H22N2O3/c32-26(19-20-15-17-22(18-16-20)21-9-3-1-4-10-21)31-27-24-13-7-8-14-25(24)34-28(27)29(33)30-23-11-5-2-6-12-23/h1-18H,19H2,(H,30,33)(H,31,32)
InChIKeyHISODHXFIPEECA-UHFFFAOYSA-N
MW446.51 g/mol
LogP6.53
Rot. Bonds6

About N-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide

N-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 16814295) has the molecular formula C29H22N2O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
PubChem CID16814295
Molecular FormulaC29H22N2O3
Molecular Weight446.51 g/mol
Exact Mass446.16
IUPAC NameN-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12
InChIInChI=1S/C29H22N2O3/c32-26(19-20-15-17-22(18-16-20)21-9-3-1-4-10-21)31-27-24-13-7-8-14-25(24)34-28(27)29(33)30-23-11-5-2-6-12-23/h1-18H,19H2,(H,30,33)(H,31,32)
InChIKeyHISODHXFIPEECA-UHFFFAOYSA-N
XLogP6.53
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-naphthalen-1-ylacetyl)amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 16814293
N-(4-ethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875357
3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 1267238
3-acetamido-N-(4-ethylphenyl)-1-benzofuran-2-carboxamide
CID 7501768
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-(3-cyclohexylpropanoylamino)-N-phenyl-1-benzofuran-2-carboxamide
CID 7159624
N-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20875391
N-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875320
3-[[2-(4-fluorophenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 7385792
N-(4-ethylphenyl)-3-[(4-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 7501787
N-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817375

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide (CID 16814295) is N-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide is O=C(Cc1ccc(-c2ccccc2)cc1)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12.
What is the InChIKey of N-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
The InChIKey is HISODHXFIPEECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O3/c32-26(19-20-15-17-22(18-16-20)21-9-3-1-4-10-21)31-27-24-13-7-8-14-25(24)34-28(27)29(33)30-23-11-5-2-6-12-23/h1-18H,19H2,(H,30,33)(H,31,32).
What are the key properties of N-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide?
N-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 6.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16814295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).