(3S)-N-[(2-chlorophenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

C17H21ClN2O2 — CID 9364760

IUPAC(3S)-N-[(2-chlorophenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C17H21ClN2O2/c18-15-8-4-1-5-12(15)10-19-17(22)13-9-16(21)20(11-13)14-6-2-3-7-14/h1,4-5,8,13-14H,2-3,6-7,9-11H2,(H,19,22)/t13-/m0/s1
InChIKeyOBNLLXODYGFXOZ-ZDUSSCGKSA-N
MW320.82 g/mol
LogP2.75
Rot. Bonds4

About (3S)-N-[(2-chlorophenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

(3S)-N-[(2-chlorophenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 9364760) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is (3S)-N-[(2-chlorophenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2-chlorophenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
PubChem CID9364760
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name(3S)-N-[(2-chlorophenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C17H21ClN2O2/c18-15-8-4-1-5-12(15)10-19-17(22)13-9-16(21)20(11-13)14-6-2-3-7-14/h1,4-5,8,13-14H,2-3,6-7,9-11H2,(H,19,22)/t13-/m0/s1
InChIKeyOBNLLXODYGFXOZ-ZDUSSCGKSA-N
XLogP2.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-cyclopentyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 95594183
1-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 166541825
N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
CID 110687464
(3R)-1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 26644337
1-cyclopentyl-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42916466
1-cyclohexyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 17257395
1-cyclopentyl-N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 72936301
(3R)-1-cyclopentyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97147855
1-cyclohexyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4246129
N-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 46539812
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2-chlorophenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2-chlorophenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (CID 9364760) is (3S)-N-[(2-chlorophenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2-chlorophenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2-chlorophenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is O=C(NCc1ccccc1Cl)[C@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of (3S)-N-[(2-chlorophenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OBNLLXODYGFXOZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c18-15-8-4-1-5-12(15)10-19-17(22)13-9-16(21)20(11-13)14-6-2-3-7-14/h1,4-5,8,13-14H,2-3,6-7,9-11H2,(H,19,22)/t13-/m0/s1.
What are the key properties of (3S)-N-[(2-chlorophenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[(2-chlorophenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 320.82 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2-chlorophenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9364760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).