4-(4-chlorophenyl)-4-oxo-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide

C22H23ClN2O3 — CID 110306132

IUPAC4-(4-chlorophenyl)-4-oxo-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)N[C@H](C(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C22H23ClN2O3/c23-18-10-8-16(9-11-18)19(26)12-13-20(27)24-21(17-6-2-1-3-7-17)22(28)25-14-4-5-15-25/h1-3,6-11,21H,4-5,12-15H2,(H,24,27)/t21-/m0/s1
InChIKeyJODFWIPMGGNXMD-NRFANRHFSA-N
MW398.89 g/mol
LogP3.78
Rot. Bonds7

About 4-(4-chlorophenyl)-4-oxo-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide

4-(4-chlorophenyl)-4-oxo-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide (PubChem CID 110306132) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-oxo-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4-oxo-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide
PubChem CID110306132
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC Name4-(4-chlorophenyl)-4-oxo-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)N[C@H](C(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C22H23ClN2O3/c23-18-10-8-16(9-11-18)19(26)12-13-20(27)24-21(17-6-2-1-3-7-17)22(28)25-14-4-5-15-25/h1-3,6-11,21H,4-5,12-15H2,(H,24,27)/t21-/m0/s1
InChIKeyJODFWIPMGGNXMD-NRFANRHFSA-N
XLogP3.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 110286769
(2S)-2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2-phenylacetic acid
CID 108808855
4-(4-fluorophenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-4-oxobutanamide
CID 110306181
3-(3-chlorophenyl)-N-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 110626084
N-benzhydryl-4-(4-chlorophenyl)-4-oxobutanamide
CID 39676655
(2S)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 8636388
3-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110426726
4-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide
CID 90833775
N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-5-thiophen-2-ylpentanamide
CID 110306130
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]butanamide
CID 110286990
4-(4-chlorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide
CID 110305687
methyl (2R)-2-[(4-oxo-4-phenylbutanoyl)amino]-2-phenylacetate
CID 95288517

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-4-oxo-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide?
The IUPAC name of 4-(4-chlorophenyl)-4-oxo-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide (CID 110306132) is 4-(4-chlorophenyl)-4-oxo-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-4-oxo-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide?
The canonical SMILES for 4-(4-chlorophenyl)-4-oxo-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide is O=C(CCC(=O)c1ccc(Cl)cc1)N[C@H](C(=O)N1CCCC1)c1ccccc1.
What is the InChIKey of 4-(4-chlorophenyl)-4-oxo-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide?
The InChIKey is JODFWIPMGGNXMD-NRFANRHFSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c23-18-10-8-16(9-11-18)19(26)12-13-20(27)24-21(17-6-2-1-3-7-17)22(28)25-14-4-5-15-25/h1-3,6-11,21H,4-5,12-15H2,(H,24,27)/t21-/m0/s1.
What are the key properties of 4-(4-chlorophenyl)-4-oxo-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide?
4-(4-chlorophenyl)-4-oxo-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide has a molecular weight of 398.89 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-4-oxo-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide is sourced from PubChem (CID 110306132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).