(4S)-1-(3-chlorophenyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one

C21H21ClN2O2 — CID 95352964

IUPAC(4S)-1-(3-chlorophenyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1C[C@H](C(=O)N2CCC[C@@H]2c2ccccc2)CN1c1cccc(Cl)c1
InChIInChI=1S/C21H21ClN2O2/c22-17-8-4-9-18(13-17)24-14-16(12-20(24)25)21(26)23-11-5-10-19(23)15-6-2-1-3-7-15/h1-4,6-9,13,16,19H,5,10-12,14H2/t16-,19+/m0/s1
InChIKeyKTUWBWUNVMHASP-QFBILLFUSA-N
MW368.86 g/mol
LogP4.06
Rot. Bonds3

About (4S)-1-(3-chlorophenyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one

(4S)-1-(3-chlorophenyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 95352964) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is (4S)-1-(3-chlorophenyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(3-chlorophenyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID95352964
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name(4S)-1-(3-chlorophenyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1C[C@H](C(=O)N2CCC[C@@H]2c2ccccc2)CN1c1cccc(Cl)c1
InChIInChI=1S/C21H21ClN2O2/c22-17-8-4-9-18(13-17)24-14-16(12-20(24)25)21(26)23-11-5-10-19(23)15-6-2-1-3-7-15/h1-4,6-9,13,16,19H,5,10-12,14H2/t16-,19+/m0/s1
InChIKeyKTUWBWUNVMHASP-QFBILLFUSA-N
XLogP4.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 46557998
(4S)-1-(3-chlorophenyl)-4-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 51935556
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-(3-chlorophenyl)pyrrolidin-2-one
CID 134035368
4-[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
CID 46957927
(4R)-4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
CID 92597743
(4S)-1-(3-chlorophenyl)-4-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]pyrrolidin-2-one
CID 37445764
1-(3-chlorophenyl)-4-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one
CID 47023982
4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1-(3-bromophenyl)pyrrolidin-2-one
CID 119633918
1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 119137739
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
(4S)-1-(3-chlorophenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 29134624
1-(3-methoxyphenyl)-4-(3-phenylazepane-1-carbonyl)pyrrolidin-2-one
CID 90608508

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(3-chlorophenyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-(3-chlorophenyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 95352964) is (4S)-1-(3-chlorophenyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(3-chlorophenyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(3-chlorophenyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one is O=C1C[C@H](C(=O)N2CCC[C@@H]2c2ccccc2)CN1c1cccc(Cl)c1.
What is the InChIKey of (4S)-1-(3-chlorophenyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is KTUWBWUNVMHASP-QFBILLFUSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c22-17-8-4-9-18(13-17)24-14-16(12-20(24)25)21(26)23-11-5-10-19(23)15-6-2-1-3-7-15/h1-4,6-9,13,16,19H,5,10-12,14H2/t16-,19+/m0/s1.
What are the key properties of (4S)-1-(3-chlorophenyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
(4S)-1-(3-chlorophenyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 368.86 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(3-chlorophenyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 95352964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).