3-[[(2R)-2-phenoxypropanoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide

C24H20N2O4 — CID 7159658

IUPAC3-[[(2R)-2-phenoxypropanoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
SMILESC[C@@H](Oc1ccccc1)C(=O)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12
InChIInChI=1S/C24H20N2O4/c1-16(29-18-12-6-3-7-13-18)23(27)26-21-19-14-8-9-15-20(19)30-22(21)24(28)25-17-10-4-2-5-11-17/h2-16H,1H3,(H,25,28)(H,26,27)/t16-/m1/s1
InChIKeyPYINUSGDKUECNZ-MRXNPFEDSA-N
MW400.43 g/mol
LogP5.09
Rot. Bonds6

About 3-[[(2R)-2-phenoxypropanoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide

3-[[(2R)-2-phenoxypropanoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide (PubChem CID 7159658) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 3-[[(2R)-2-phenoxypropanoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[[(2R)-2-phenoxypropanoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
PubChem CID7159658
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name3-[[(2R)-2-phenoxypropanoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
SMILESC[C@@H](Oc1ccccc1)C(=O)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12
InChIInChI=1S/C24H20N2O4/c1-16(29-18-12-6-3-7-13-18)23(27)26-21-19-14-8-9-15-20(19)30-22(21)24(28)25-17-10-4-2-5-11-17/h2-16H,1H3,(H,25,28)(H,26,27)/t16-/m1/s1
InChIKeyPYINUSGDKUECNZ-MRXNPFEDSA-N
XLogP5.09
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]-1-benzofuran-2-carboxamide
CID 41294972
N,N-diethyl-3-(2-phenoxypropanoylamino)-1-benzofuran-2-carboxamide
CID 20926182
(2S)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-2-phenoxypropanamide
CID 51457035
N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 3446005
3-acetamido-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875163
N-dibenzofuran-3-yl-2-phenoxypropanamide
CID 133234579
2-(4-tert-butylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide
CID 3445869
N-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20875391
3-[(2-naphthalen-1-ylacetyl)amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 16814293
3-benzamido-N-(4-ethoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875337
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
3-acetamido-N-(4-ethylphenyl)-1-benzofuran-2-carboxamide
CID 7501768

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-phenoxypropanoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[[(2R)-2-phenoxypropanoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide (CID 7159658) is 3-[[(2R)-2-phenoxypropanoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[[(2R)-2-phenoxypropanoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[[(2R)-2-phenoxypropanoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide is C[C@@H](Oc1ccccc1)C(=O)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12.
What is the InChIKey of 3-[[(2R)-2-phenoxypropanoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide?
The InChIKey is PYINUSGDKUECNZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-16(29-18-12-6-3-7-13-18)23(27)26-21-19-14-8-9-15-20(19)30-22(21)24(28)25-17-10-4-2-5-11-17/h2-16H,1H3,(H,25,28)(H,26,27)/t16-/m1/s1.
What are the key properties of 3-[[(2R)-2-phenoxypropanoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide?
3-[[(2R)-2-phenoxypropanoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide has a molecular weight of 400.43 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-phenoxypropanoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7159658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).