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

C15H19FN2O2 — CID 95126966

IUPAC(3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@@H](C(=O)NC(C)C)CC2=O)c(F)c1
InChIInChI=1S/C15H19FN2O2/c1-9(2)17-15(20)11-7-14(19)18(8-11)13-5-4-10(3)6-12(13)16/h4-6,9,11H,7-8H2,1-3H3,(H,17,20)/t11-/m0/s1
InChIKeyHLFMKXHJOBUGBD-NSHDSACASA-N
MW278.33 g/mol
LogP2.01
Rot. Bonds3

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

(3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 95126966) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is (3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID95126966
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name(3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(N2C[C@@H](C(=O)NC(C)C)CC2=O)c(F)c1
InChIInChI=1S/C15H19FN2O2/c1-9(2)17-15(20)11-7-14(19)18(8-11)13-5-4-10(3)6-12(13)16/h4-6,9,11H,7-8H2,1-3H3,(H,17,20)/t11-/m0/s1
InChIKeyHLFMKXHJOBUGBD-NSHDSACASA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4-methylphenyl)-N-(3-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide
CID 111429196
(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 41025446
(3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
CID 38618566
1-(2-fluoro-4-methylphenyl)-N-[(1-hydroxycyclobutyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 111539807
(2S)-2-[[(3R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 124693037
methyl 3-[[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(4-fluorophenyl)propanoate
CID 55995689
1-(2-fluoro-4-methylphenyl)-N'-[2-(4-fluorophenoxy)propanoyl]-5-oxopyrrolidine-3-carbohydrazide
CID 46407999
1-(2-fluoro-4-methylphenyl)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 55750077
N-(2,5-dichlorophenyl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46686200
N-(3,5-dimethoxyphenyl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55604531
N-(4-amino-3,5-dichlorophenyl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55628688
N-cyclopentyl-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 56516892

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (CID 95126966) is (3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is Cc1ccc(N2C[C@@H](C(=O)NC(C)C)CC2=O)c(F)c1.
What is the InChIKey of (3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is HLFMKXHJOBUGBD-NSHDSACASA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-9(2)17-15(20)11-7-14(19)18(8-11)13-5-4-10(3)6-12(13)16/h4-6,9,11H,7-8H2,1-3H3,(H,17,20)/t11-/m0/s1.
What are the key properties of (3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
(3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 95126966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).