1-butan-2-yl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C15H19FN2O2 — CID 113182236

IUPAC1-butan-2-yl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)N1CC(C(=O)Nc2cccc(F)c2)CC1=O
InChIInChI=1S/C15H19FN2O2/c1-3-10(2)18-9-11(7-14(18)19)15(20)17-13-6-4-5-12(16)8-13/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,17,20)
InChIKeyCYBNDCWLZQZKJO-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.41
Rot. Bonds4

About 1-butan-2-yl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

1-butan-2-yl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113182236) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-butan-2-yl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butan-2-yl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113182236
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name1-butan-2-yl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)N1CC(C(=O)Nc2cccc(F)c2)CC1=O
InChIInChI=1S/C15H19FN2O2/c1-3-10(2)18-9-11(7-14(18)19)15(20)17-13-6-4-5-12(16)8-13/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,17,20)
InChIKeyCYBNDCWLZQZKJO-UHFFFAOYSA-N
XLogP2.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-yl-N-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182191
1-butan-2-yl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182204
1-butan-2-yl-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182268
1-butan-2-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 113182243
1-butan-2-yl-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182188
1-butan-2-yl-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113182244
(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 9364923
(3S)-N-(3-methoxyphenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365141
(3S)-N-(3-chlorophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 41066163
(3R)-N-(3-fluorophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 875351
1-butan-2-yl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113182232
(3S)-1-cyclopentyl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364552

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-butan-2-yl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 113182236) is 1-butan-2-yl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butan-2-yl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-butan-2-yl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is CCC(C)N1CC(C(=O)Nc2cccc(F)c2)CC1=O.
What is the InChIKey of 1-butan-2-yl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CYBNDCWLZQZKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-3-10(2)18-9-11(7-14(18)19)15(20)17-13-6-4-5-12(16)8-13/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,17,20).
What are the key properties of 1-butan-2-yl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
1-butan-2-yl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113182236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).