N-cyclopentyl-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

C20H27FN2O2 — CID 56516892

IUPACN-cyclopentyl-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)N(C(C)C)C3CCCC3)CC2=O)c(F)c1
InChIInChI=1S/C20H27FN2O2/c1-13(2)23(16-6-4-5-7-16)20(25)15-11-19(24)22(12-15)18-9-8-14(3)10-17(18)21/h8-10,13,15-16H,4-7,11-12H2,1-3H3
InChIKeyLDJZWJFEKFXSLS-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.67
Rot. Bonds4

About N-cyclopentyl-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

N-cyclopentyl-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 56516892) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is N-cyclopentyl-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID56516892
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC NameN-cyclopentyl-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)N(C(C)C)C3CCCC3)CC2=O)c(F)c1
InChIInChI=1S/C20H27FN2O2/c1-13(2)23(16-6-4-5-7-16)20(25)15-11-19(24)22(12-15)18-9-8-14(3)10-17(18)21/h8-10,13,15-16H,4-7,11-12H2,1-3H3
InChIKeyLDJZWJFEKFXSLS-UHFFFAOYSA-N
XLogP3.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 95126966
N-cyclopentyl-1-(4-methylsulfanylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 56517670
2-[2-(dimethylamino)ethyl-[(3R)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 125152039
1-(2-fluoro-4-methylphenyl)-N-(3-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide
CID 111429196
1-(2-fluoro-4-methylphenyl)-4-(4-methoxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 56811933
1-(2-methoxy-5-methylphenyl)-5-oxo-N,N-di(propan-2-yl)pyrrolidine-3-carboxamide
CID 56530400
1-(2-fluoro-4-methylphenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55695071
1-(2-fluoro-4-methylphenyl)-N-[(1-hydroxycyclobutyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 111539807
1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-methylpiperidine-4-carboxamide
CID 55607540
[(3R)-1-[(3R)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methanesulfonamide
CID 124861676
N-[(3-cyanophenyl)methyl]-1-(2-fluoro-4-methylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 86929622
1-(2-fluoro-4-methylphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55604654

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (CID 56516892) is N-cyclopentyl-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)N(C(C)C)C3CCCC3)CC2=O)c(F)c1.
What is the InChIKey of N-cyclopentyl-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is LDJZWJFEKFXSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c1-13(2)23(16-6-4-5-7-16)20(25)15-11-19(24)22(12-15)18-9-8-14(3)10-17(18)21/h8-10,13,15-16H,4-7,11-12H2,1-3H3.
What are the key properties of N-cyclopentyl-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
N-cyclopentyl-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 56516892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).