(3S)-1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C17H21FN2O2 — CID 8572944

IUPAC(3S)-1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(F)cc1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C17H21FN2O2/c1-11-6-7-13(18)9-15(11)19-17(22)12-8-16(21)20(10-12)14-4-2-3-5-14/h6-7,9,12,14H,2-5,8,10H2,1H3,(H,19,22)/t12-/m0/s1
InChIKeyLHPAMNPADNNVFK-LBPRGKRZSA-N
MW304.37 g/mol
LogP2.86
Rot. Bonds3

About (3S)-1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 8572944) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is (3S)-1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID8572944
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Name(3S)-1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(F)cc1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C17H21FN2O2/c1-11-6-7-13(18)9-15(11)19-17(22)12-8-16(21)20(10-12)14-4-2-3-5-14/h6-7,9,12,14H,2-5,8,10H2,1H3,(H,19,22)/t12-/m0/s1
InChIKeyLHPAMNPADNNVFK-LBPRGKRZSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 6920596
(3R)-1-cyclohexyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40822798
1-cyclopentyl-N-(2-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43024507
(3S)-1-cyclopentyl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364552
N-(3-bromo-4-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 113182274
N-(3-chloro-4-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 17081380
(3R)-1-cyclopentyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364595
(3R)-N-(5-fluoro-2-methylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39977521
1-(3,4-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 134060422
(3R)-N-(4-bromo-3-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 8572465
(3R)-1-cyclohexyl-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40596002
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9097641

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 8572944) is (3S)-1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(F)cc1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of (3S)-1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LHPAMNPADNNVFK-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-11-6-7-13(18)9-15(11)19-17(22)12-8-16(21)20(10-12)14-4-2-3-5-14/h6-7,9,12,14H,2-5,8,10H2,1H3,(H,19,22)/t12-/m0/s1.
What are the key properties of (3S)-1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopentyl-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 8572944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).