N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C19H19ClN2O2 — CID 9164826

IUPACN-[(1S)-1-(3-chlorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESC[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H19ClN2O2/c1-13(15-4-2-5-16(20)12-15)21-19(24)14-7-9-17(10-8-14)22-11-3-6-18(22)23/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,21,24)/t13-/m0/s1
InChIKeyVICFOCRKUVAENF-ZDUSSCGKSA-N
MW342.83 g/mol
LogP3.96
Rot. Bonds4

About N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 9164826) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID9164826
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC NameN-[(1S)-1-(3-chlorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESC[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H19ClN2O2/c1-13(15-4-2-5-16(20)12-15)21-19(24)14-7-9-17(10-8-14)22-11-3-6-18(22)23/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,21,24)/t13-/m0/s1
InChIKeyVICFOCRKUVAENF-ZDUSSCGKSA-N
XLogP3.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 51881405
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 51582804
N-[1-(4-tert-butylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132654676
N-benzhydryl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 2555391
4-chloro-3-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide
CID 9032786
4-(2-oxopyrrolidin-1-yl)-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 55657710
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide
CID 7944591
2-(2-chlorophenyl)-1,3-dioxo-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]isoindole-5-carboxamide
CID 154859724
N-[1-(4-bromophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55395402
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 41156699
N-[1-(2-methylphenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 134044850

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 9164826) is N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is C[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is VICFOCRKUVAENF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-13(15-4-2-5-16(20)12-15)21-19(24)14-7-9-17(10-8-14)22-11-3-6-18(22)23/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,21,24)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 342.83 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 9164826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).