2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-(1-phenylethyl)benzamide

C26H25N3O3 — CID 46828137

IUPAC2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1
InChIInChI=1S/C26H25N3O3/c1-18(19-9-3-2-4-10-19)27-26(32)22-13-5-6-14-23(22)28-25(31)20-11-7-12-21(17-20)29-16-8-15-24(29)30/h2-7,9-14,17-18H,8,15-16H2,1H3,(H,27,32)(H,28,31)
InChIKeyAWRAFJKSSSNNML-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.56
Rot. Bonds6

About 2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-(1-phenylethyl)benzamide

2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 46828137) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID46828137
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1
InChIInChI=1S/C26H25N3O3/c1-18(19-9-3-2-4-10-19)27-26(32)22-13-5-6-14-23(22)28-25(31)20-11-7-12-21(17-20)29-16-8-15-24(29)30/h2-7,9-14,17-18H,8,15-16H2,1H3,(H,27,32)(H,28,31)
InChIKeyAWRAFJKSSSNNML-UHFFFAOYSA-N
XLogP4.56
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132654676
N-[1-(4-bromophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55395402
N-(2-aminoethyl)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide
CID 120604401
N-[1-(4-ethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46654034
N-[1-(4-methoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132651870
2-[(3-iodobenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 98112407
2-methoxy-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pyridine-3-carboxamide
CID 60590019
2-[(3-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 54790772
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide
CID 121052835
N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132662608
(3R)-3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenylpropanoic acid
CID 51521923
N-[2-(difluoromethoxy)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 27827122

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-(1-phenylethyl)benzamide (CID 46828137) is 2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccccc1NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1.
What is the InChIKey of 2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is AWRAFJKSSSNNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-18(19-9-3-2-4-10-19)27-26(32)22-13-5-6-14-23(22)28-25(31)20-11-7-12-21(17-20)29-16-8-15-24(29)30/h2-7,9-14,17-18H,8,15-16H2,1H3,(H,27,32)(H,28,31).
What are the key properties of 2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-(1-phenylethyl)benzamide?
2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 427.50 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 46828137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).