4-chloro-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide

C19H19ClN2O2 — CID 110286769

IUPAC4-chloro-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide
SMILESO=C(N[C@H](C(=O)N1CCCC1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O2/c20-16-10-8-15(9-11-16)18(23)21-17(14-6-2-1-3-7-14)19(24)22-12-4-5-13-22/h1-3,6-11,17H,4-5,12-13H2,(H,21,23)/t17-/m0/s1
InChIKeyPARUMYDOJLBZIQ-KRWDZBQOSA-N
MW342.83 g/mol
LogP3.43
Rot. Bonds4

About 4-chloro-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide

4-chloro-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 110286769) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 4-chloro-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID110286769
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name4-chloro-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide
SMILESO=C(N[C@H](C(=O)N1CCCC1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O2/c20-16-10-8-15(9-11-16)18(23)21-17(14-6-2-1-3-7-14)19(24)22-12-4-5-13-22/h1-3,6-11,17H,4-5,12-13H2,(H,21,23)/t17-/m0/s1
InChIKeyPARUMYDOJLBZIQ-KRWDZBQOSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide
CID 90833775
4-(4-chlorophenyl)-4-oxo-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide
CID 110306132
4-methoxy-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]benzamide
CID 110286844
(2S)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 8636388
2-bromo-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 110286741
2-methyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]benzamide
CID 110286837
N-[2-(4-aminopiperidin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 119372896
N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 31697369
2-methyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-3-carboxamide
CID 97221761
(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 8599251
2,2-dimethyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]propanamide
CID 110286834
4-methoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 110287010

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 4-chloro-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide (CID 110286769) is 4-chloro-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide is O=C(N[C@H](C(=O)N1CCCC1)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is PARUMYDOJLBZIQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c20-16-10-8-15(9-11-16)18(23)21-17(14-6-2-1-3-7-14)19(24)22-12-4-5-13-22/h1-3,6-11,17H,4-5,12-13H2,(H,21,23)/t17-/m0/s1.
What are the key properties of 4-chloro-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide?
4-chloro-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 342.83 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 110286769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).