(3R)-N-[3-(4-chlorophenyl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

C19H25ClN2O2 — CID 97113539

IUPAC(3R)-N-[3-(4-chlorophenyl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCCc1ccc(Cl)cc1)[C@@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C19H25ClN2O2/c20-16-9-7-14(8-10-16)4-3-11-21-19(24)15-12-18(23)22(13-15)17-5-1-2-6-17/h7-10,15,17H,1-6,11-13H2,(H,21,24)/t15-/m1/s1
InChIKeyPVHWDDMHEGYNFG-OAHLLOKOSA-N
MW348.87 g/mol
LogP3.18
Rot. Bonds6

About (3R)-N-[3-(4-chlorophenyl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-[3-(4-chlorophenyl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 97113539) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is (3R)-N-[3-(4-chlorophenyl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-(4-chlorophenyl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
PubChem CID97113539
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name(3R)-N-[3-(4-chlorophenyl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCCc1ccc(Cl)cc1)[C@@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C19H25ClN2O2/c20-16-9-7-14(8-10-16)4-3-11-21-19(24)15-12-18(23)22(13-15)17-5-1-2-6-17/h7-10,15,17H,1-6,11-13H2,(H,21,24)/t15-/m1/s1
InChIKeyPVHWDDMHEGYNFG-OAHLLOKOSA-N
XLogP3.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 17081353
N-[2-(4-chlorophenyl)ethyl]-1-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113184770
N-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide
CID 100733512
(3R)-1-cyclopentyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97147855
(3R)-1-cyclopentyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 97124433
(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 7030805
1-cyclohexyl-N-[2-[4-(dimethylamino)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 110627054
(3R)-N-[2-[(4-chlorobenzoyl)amino]ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 36868577
(3S)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 97130733
N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135
(3R)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030812
(3S)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030810

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-(4-chlorophenyl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[3-(4-chlorophenyl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (CID 97113539) is (3R)-N-[3-(4-chlorophenyl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[3-(4-chlorophenyl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[3-(4-chlorophenyl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is O=C(NCCCc1ccc(Cl)cc1)[C@@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of (3R)-N-[3-(4-chlorophenyl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PVHWDDMHEGYNFG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c20-16-9-7-14(8-10-16)4-3-11-21-19(24)15-12-18(23)22(13-15)17-5-1-2-6-17/h7-10,15,17H,1-6,11-13H2,(H,21,24)/t15-/m1/s1.
What are the key properties of (3R)-N-[3-(4-chlorophenyl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[3-(4-chlorophenyl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 348.87 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-(4-chlorophenyl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97113539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).