(2S)-N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C15H19FN2O3 — CID 95612225

IUPAC(2S)-N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)[C@@H]2CCC(=O)N2)cc1F
InChIInChI=1S/C15H19FN2O3/c1-9(2)21-13-5-3-10(7-11(13)16)8-17-15(20)12-4-6-14(19)18-12/h3,5,7,9,12H,4,6,8H2,1-2H3,(H,17,20)(H,18,19)/t12-/m0/s1
InChIKeyZDJCCXXSUVZHPP-LBPRGKRZSA-N
MW294.33 g/mol
LogP1.51
Rot. Bonds5

About (2S)-N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 95612225) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is (2S)-N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID95612225
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name(2S)-N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)[C@@H]2CCC(=O)N2)cc1F
InChIInChI=1S/C15H19FN2O3/c1-9(2)21-13-5-3-10(7-11(13)16)8-17-15(20)12-4-6-14(19)18-12/h3,5,7,9,12H,4,6,8H2,1-2H3,(H,17,20)(H,18,19)/t12-/m0/s1
InChIKeyZDJCCXXSUVZHPP-LBPRGKRZSA-N
XLogP1.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 56781412
N-[(3-ethyl-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793891
5-oxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 51082730
N-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110794394
N-[(3,5-difluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110471718
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3-methylbutanamide
CID 110782111
N-[(4-butan-2-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793549
N-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793335
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3,4-dimethoxybenzamide
CID 110782122
N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 82133842
N-[(4-fluorophenyl)methyl]-7-oxoazepane-2-carboxamide
CID 110196319
5-oxo-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 110794754

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 95612225) is (2S)-N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is CC(C)Oc1ccc(CNC(=O)[C@@H]2CCC(=O)N2)cc1F.
What is the InChIKey of (2S)-N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ZDJCCXXSUVZHPP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-9(2)21-13-5-3-10(7-11(13)16)8-17-15(20)12-4-6-14(19)18-12/h3,5,7,9,12H,4,6,8H2,1-2H3,(H,17,20)(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 95612225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).