1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide

C18H25FN2O2 — CID 6497428

IUPAC1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C18H25FN2O2/c1-3-4-13(2)20-18(23)15-11-17(22)21(12-15)10-9-14-5-7-16(19)8-6-14/h5-8,13,15H,3-4,9-12H2,1-2H3,(H,20,23)
InChIKeyFNYNSRFYRDIIJV-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.52
Rot. Bonds7

About 1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide

1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide (PubChem CID 6497428) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide
PubChem CID6497428
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C18H25FN2O2/c1-3-4-13(2)20-18(23)15-11-17(22)21(12-15)10-9-14-5-7-16(19)8-6-14/h5-8,13,15H,3-4,9-12H2,1-2H3,(H,20,23)
InChIKeyFNYNSRFYRDIIJV-UHFFFAOYSA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

BN-201
CID 66610682
Smac peptido-mimetic 6h
CID 11176734
Nppcc, (-)-
CID 10087023
(2S,3S)-3-amino-2-(4''-fluorobiphenyl-4-yl)-4-((S)-3-fluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxobutanamide
CID 10250452
1-Pyrrolidineacetamide, N-[(2-fluorophenyl)methyl]-|A-methyl-2,5-dioxo-, (|AR)-
CID 155213179
1-cyclopentyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 16307848
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
Phenylalanine derived inhibitor, 3
CID 23647691
1-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 45210433
(1S,2S)-1-carbamoyl-1-[4-(4-fluorophenyl)phenyl]-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxopropan-2-aminium; 2,2,2-trifluoroacetate
CID 91895756
(1S,2S)-1-[4-(4-fluorophenyl)phenyl]-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-(methylcarbamoyl)-3-oxopropan-2-aminium; 2,2,2-trifluoroacetate
CID 91895757
(1S,2S)-1-(ethylcarbamoyl)-1-[4-(4-fluorophenyl)phenyl]-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxopropan-2-aminium; 2,2,2-trifluoroacetate
CID 91895759

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide (CID 6497428) is 1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide is CCCC(C)NC(=O)C1CC(=O)N(CCc2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is FNYNSRFYRDIIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-3-4-13(2)20-18(23)15-11-17(22)21(12-15)10-9-14-5-7-16(19)8-6-14/h5-8,13,15H,3-4,9-12H2,1-2H3,(H,20,23).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide?
1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 6497428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).