(2S)-N-[3-(4-chlorophenyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide

C16H21ClN2O2 — CID 95331327

IUPAC(2S)-N-[3-(4-chlorophenyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCCC(CC)(NC(=O)[C@@H]1CCC(=O)N1)c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O2/c1-3-16(4-2,11-5-7-12(17)8-6-11)19-15(21)13-9-10-14(20)18-13/h5-8,13H,3-4,9-10H2,1-2H3,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyCNYZWYWGYBFALR-ZDUSSCGKSA-N
MW308.81 g/mol
LogP2.75
Rot. Bonds5

About (2S)-N-[3-(4-chlorophenyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[3-(4-chlorophenyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 95331327) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is (2S)-N-[3-(4-chlorophenyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(4-chlorophenyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID95331327
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name(2S)-N-[3-(4-chlorophenyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCCC(CC)(NC(=O)[C@@H]1CCC(=O)N1)c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2O2/c1-3-16(4-2,11-5-7-12(17)8-6-11)19-15(21)13-9-10-14(20)18-13/h5-8,13H,3-4,9-10H2,1-2H3,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyCNYZWYWGYBFALR-ZDUSSCGKSA-N
XLogP2.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 110445231
N-[3-(4-chlorophenyl)pentan-3-yl]piperidine-4-carboxamide
CID 119315399
N-[3-(4-chlorophenyl)pentan-3-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119769495
(2S,4S)-N-[3-(4-chlorophenyl)pentan-3-yl]-2-methylpiperidine-4-carboxamide
CID 120630325
(2R)-N-[3-(hydroxymethyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide
CID 103874900
(3S)-N-[3-(4-chlorophenyl)pentan-3-yl]oxane-3-carboxamide
CID 97310475
N-[3-(4-chlorophenyl)pentan-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166405560
N-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793335
3-amino-N-[3-(4-chlorophenyl)pentan-3-yl]propanamide
CID 119315395
2-methyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoic acid
CID 61261305
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 103933214
(2R)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 103895358

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(4-chlorophenyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-(4-chlorophenyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide (CID 95331327) is (2S)-N-[3-(4-chlorophenyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(4-chlorophenyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(4-chlorophenyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide is CCC(CC)(NC(=O)[C@@H]1CCC(=O)N1)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-[3-(4-chlorophenyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is CNYZWYWGYBFALR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-3-16(4-2,11-5-7-12(17)8-6-11)19-15(21)13-9-10-14(20)18-13/h5-8,13H,3-4,9-10H2,1-2H3,(H,18,20)(H,19,21)/t13-/m0/s1.
What are the key properties of (2S)-N-[3-(4-chlorophenyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[3-(4-chlorophenyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 308.81 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(4-chlorophenyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 95331327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).