1-[2-(4-fluorophenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide

C18H25FN2O2 — CID 17081606

IUPAC1-[2-(4-fluorophenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C18H25FN2O2/c1-13(2)7-9-20-18(23)15-11-17(22)21(12-15)10-8-14-3-5-16(19)6-4-14/h3-6,13,15H,7-12H2,1-2H3,(H,20,23)
InChIKeyYTNWVXUHDANKBL-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.38
Rot. Bonds7

About 1-[2-(4-fluorophenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide

1-[2-(4-fluorophenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17081606) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17081606
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CC(=O)N(CCc2ccc(F)cc2)C1
InChIInChI=1S/C18H25FN2O2/c1-13(2)7-9-20-18(23)15-11-17(22)21(12-15)10-8-14-3-5-16(19)6-4-14/h3-6,13,15H,7-12H2,1-2H3,(H,20,23)
InChIKeyYTNWVXUHDANKBL-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[2-(4-fluorophenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 9374348
(3S)-1-[2-(4-fluorophenyl)ethyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 9373889
(3S)-1-[2-(4-fluorophenyl)ethyl]-N-[(2S)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9374389
(3R)-1-[2-(4-fluorophenyl)ethyl]-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9374070
(3R)-1-ethyl-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94088856
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42990212
(3R)-N-(4-fluorophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 9373980
(3R)-N-[(4-chlorophenyl)methyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 9374483
(3S)-N-[2-(4-fluorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9401620
1-[2-(2-methoxyphenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 113184412
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109149096
(3S)-N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 9374219

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (CID 17081606) is 1-[2-(4-fluorophenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CCNC(=O)C1CC(=O)N(CCc2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YTNWVXUHDANKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-13(2)7-9-20-18(23)15-11-17(22)21(12-15)10-8-14-3-5-16(19)6-4-14/h3-6,13,15H,7-12H2,1-2H3,(H,20,23).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
1-[2-(4-fluorophenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.38, 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]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17081606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).