4-butyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide

C21H24N2O2 — CID 8589902

IUPAC4-butyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCCCCc1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C21H24N2O2/c1-2-3-6-16-10-12-17(13-11-16)21(25)22-18-7-4-8-19(15-18)23-14-5-9-20(23)24/h4,7-8,10-13,15H,2-3,5-6,9,14H2,1H3,(H,22,25)
InChIKeyINHFDMSGVCRULQ-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.41
Rot. Bonds6

About 4-butyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide

4-butyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide (PubChem CID 8589902) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-butyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-butyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
PubChem CID8589902
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name4-butyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCCCCc1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C21H24N2O2/c1-2-3-6-16-10-12-17(13-11-16)21(25)22-18-7-4-8-19(15-18)23-14-5-9-20(23)24/h4,7-8,10-13,15H,2-3,5-6,9,14H2,1H3,(H,22,25)
InChIKeyINHFDMSGVCRULQ-UHFFFAOYSA-N
XLogP4.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 24601128
N-(3-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27256400
4-[(S)-methylsulfinyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 25472925
3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55705699
N-[3-(2-oxopiperidin-1-yl)phenyl]-4-propan-2-yloxybenzamide
CID 7687596
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethylsulfanyl)benzamide
CID 8589872
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 46491877
3-acetamido-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 46471677
3,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687664
N-[3-(methoxymethyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 32637877
3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 9050034
4-(methoxysulfamoyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 55704261

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 4-butyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide (CID 8589902) is 4-butyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-butyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-butyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide is CCCCc1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1.
What is the InChIKey of 4-butyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is INHFDMSGVCRULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-2-3-6-16-10-12-17(13-11-16)21(25)22-18-7-4-8-19(15-18)23-14-5-9-20(23)24/h4,7-8,10-13,15H,2-3,5-6,9,14H2,1H3,(H,22,25).
What are the key properties of 4-butyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
4-butyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 336.44 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 8589902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).