(3S)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

C18H22ClFN2O2 — CID 97130733

IUPAC(3S)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1c(F)cccc1Cl)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C18H22ClFN2O2/c19-15-6-3-7-16(20)14(15)8-9-21-18(24)12-10-17(23)22(11-12)13-4-1-2-5-13/h3,6-7,12-13H,1-2,4-5,8-11H2,(H,21,24)/t12-/m0/s1
InChIKeyQRTMXWXFYDARHQ-LBPRGKRZSA-N
MW352.84 g/mol
LogP2.93
Rot. Bonds5

About (3S)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

(3S)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 97130733) has the molecular formula C18H22ClFN2O2 and a molecular weight of 352.84 g/mol. Its IUPAC name is (3S)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
PubChem CID97130733
Molecular FormulaC18H22ClFN2O2
Molecular Weight352.84 g/mol
Exact Mass352.14
IUPAC Name(3S)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1c(F)cccc1Cl)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C18H22ClFN2O2/c19-15-6-3-7-16(20)14(15)8-9-21-18(24)12-10-17(23)22(11-12)13-4-1-2-5-13/h3,6-7,12-13H,1-2,4-5,8-11H2,(H,21,24)/t12-/m0/s1
InChIKeyQRTMXWXFYDARHQ-LBPRGKRZSA-N
XLogP2.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42916466
(3R)-1-cyclopentyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97147855
(3R)-N-[3-(4-chlorophenyl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 97113539
1-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 166541825
(4S)-4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one
CID 9113608
N-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 46539812
(3S)-N-[(2-chlorophenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 9364760
1-cyclopropyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 70724457
3-[2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoic acid
CID 125149425
(3R)-1-cyclopentyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 97124433
1-cyclopentyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 3239285
(3R)-N-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 97080842

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (CID 97130733) is (3S)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is O=C(NCCc1c(F)cccc1Cl)[C@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of (3S)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QRTMXWXFYDARHQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22ClFN2O2/c19-15-6-3-7-16(20)14(15)8-9-21-18(24)12-10-17(23)22(11-12)13-4-1-2-5-13/h3,6-7,12-13H,1-2,4-5,8-11H2,(H,21,24)/t12-/m0/s1.
What are the key properties of (3S)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 352.84 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97130733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).