N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-4-pyrrol-1-ylbenzamide

C23H23N3O2 — CID 47043426

IUPACN-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-4-pyrrol-1-ylbenzamide
SMILESO=C(NC(CN1CCCC1=O)c1ccccc1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C23H23N3O2/c27-22-9-6-16-26(22)17-21(18-7-2-1-3-8-18)24-23(28)19-10-12-20(13-11-19)25-14-4-5-15-25/h1-5,7-8,10-15,21H,6,9,16-17H2,(H,24,28)
InChIKeyFBTAXIMEMCNUFC-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.57
Rot. Bonds6

About N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-4-pyrrol-1-ylbenzamide

N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-4-pyrrol-1-ylbenzamide (PubChem CID 47043426) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-4-pyrrol-1-ylbenzamide
PubChem CID47043426
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-4-pyrrol-1-ylbenzamide
SMILESO=C(NC(CN1CCCC1=O)c1ccccc1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C23H23N3O2/c27-22-9-6-16-26(22)17-21(18-7-2-1-3-8-18)24-23(28)19-10-12-20(13-11-19)25-14-4-5-15-25/h1-5,7-8,10-15,21H,6,9,16-17H2,(H,24,28)
InChIKeyFBTAXIMEMCNUFC-UHFFFAOYSA-N
XLogP3.57
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-pyrrol-1-ylbenzamide
CID 55714604
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51954274
1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
CID 94029267
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-3-carboxamide
CID 47043425
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-3-carboxamide
CID 94198526
3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzamide
CID 94198349
2-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
CID 47043433
2-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide;hydrochloride
CID 119287067
N-(1,4-diphenylbutyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 24655734
1,2-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzimidazole-5-carboxamide
CID 95139049
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 8937962
N-[2-(dimethylamino)-1-phenylethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 24504344

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-4-pyrrol-1-ylbenzamide (CID 47043426) is N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-4-pyrrol-1-ylbenzamide is O=C(NC(CN1CCCC1=O)c1ccccc1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is FBTAXIMEMCNUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-22-9-6-16-26(22)17-21(18-7-2-1-3-8-18)24-23(28)19-10-12-20(13-11-19)25-14-4-5-15-25/h1-5,7-8,10-15,21H,6,9,16-17H2,(H,24,28).
What are the key properties of N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-4-pyrrol-1-ylbenzamide?
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 373.46 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 47043426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).