1-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide

C18H22ClFN2O2 — CID 4099290

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC2CCCC2)CCC(=O)N1Cc1ccc(F)cc1Cl
InChIInChI=1S/C18H22ClFN2O2/c1-18(17(24)21-14-4-2-3-5-14)9-8-16(23)22(18)11-12-6-7-13(20)10-15(12)19/h6-7,10,14H,2-5,8-9,11H2,1H3,(H,21,24)
InChIKeyMGJXBDYBEKXKKM-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.42
Rot. Bonds4

About 1-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide

1-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 4099290) has the molecular formula C18H22ClFN2O2 and a molecular weight of 352.84 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID4099290
Molecular FormulaC18H22ClFN2O2
Molecular Weight352.84 g/mol
Exact Mass352.14
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC2CCCC2)CCC(=O)N1Cc1ccc(F)cc1Cl
InChIInChI=1S/C18H22ClFN2O2/c1-18(17(24)21-14-4-2-3-5-14)9-8-16(23)22(18)11-12-6-7-13(20)10-15(12)19/h6-7,10,14H,2-5,8-9,11H2,1H3,(H,21,24)
InChIKeyMGJXBDYBEKXKKM-UHFFFAOYSA-N
XLogP3.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 4108715
(2S)-N-cyclopentyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92719907
N-cyclohexyl-1-[(2,5-dimethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 22429047
N-cyclooctyl-1-[(4-ethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 20968052
N-cyclopentyl-1-ethyl-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 45106070
N-cyclopentyl-1-(4-fluorophenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247039
4-[(4-chlorophenyl)methyl]-N-cyclohexyl-3-methyl-5-oxo-1,4-thiazepane-3-carboxamide
CID 11058347
(2S)-N-cyclooctyl-1-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 92705624
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-cycloheptylacetamide
CID 46249807
N-cyclopentyl-1-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247056
4-benzyl-N-cyclohexyl-3-methyl-5-oxo-1,4-thiazepane-3-carboxamide
CID 11111185
1-amino-N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119884065

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 4099290) is 1-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide is CC1(C(=O)NC2CCCC2)CCC(=O)N1Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is MGJXBDYBEKXKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClFN2O2/c1-18(17(24)21-14-4-2-3-5-14)9-8-16(23)22(18)11-12-6-7-13(20)10-15(12)19/h6-7,10,14H,2-5,8-9,11H2,1H3,(H,21,24).
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
1-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 352.84 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 4099290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).