(3R)-N-(4-acetyl-3-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide

C13H15FN2O3 — CID 146596384

IUPAC(3R)-N-(4-acetyl-3-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CC[C@@H](O)C2)cc1F
InChIInChI=1S/C13H15FN2O3/c1-8(17)11-3-2-9(6-12(11)14)15-13(19)16-5-4-10(18)7-16/h2-3,6,10,18H,4-5,7H2,1H3,(H,15,19)/t10-/m1/s1
InChIKeyCCJVKNWGBWUWEA-SNVBAGLBSA-N
MW266.27 g/mol
LogP1.63
Rot. Bonds2

About (3R)-N-(4-acetyl-3-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide

(3R)-N-(4-acetyl-3-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 146596384) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is (3R)-N-(4-acetyl-3-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-acetyl-3-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
PubChem CID146596384
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name(3R)-N-(4-acetyl-3-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CC[C@@H](O)C2)cc1F
InChIInChI=1S/C13H15FN2O3/c1-8(17)11-3-2-9(6-12(11)14)15-13(19)16-5-4-10(18)7-16/h2-3,6,10,18H,4-5,7H2,1H3,(H,15,19)/t10-/m1/s1
InChIKeyCCJVKNWGBWUWEA-SNVBAGLBSA-N
XLogP1.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430925
2-fluoro-4-[(4-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 107793053
(3R)-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431168
(3R)-3-hydroxy-N-(4-methoxy-3-methylphenyl)pyrrolidine-1-carboxamide
CID 111431474
(3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 111430995
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965
(4aS,8aR)-N-(3-fluoro-4-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944608
(4aR,8aS)-N-(3-fluoro-4-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944607
N-(4-ethoxy-3-methylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 84600938
(3S)-3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidine-1-carboxamide
CID 111431157
N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223585

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-acetyl-3-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-(4-acetyl-3-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide (CID 146596384) is (3R)-N-(4-acetyl-3-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(4-acetyl-3-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-(4-acetyl-3-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide is CC(=O)c1ccc(NC(=O)N2CC[C@@H](O)C2)cc1F.
What is the InChIKey of (3R)-N-(4-acetyl-3-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is CCJVKNWGBWUWEA-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-8(17)11-3-2-9(6-12(11)14)15-13(19)16-5-4-10(18)7-16/h2-3,6,10,18H,4-5,7H2,1H3,(H,15,19)/t10-/m1/s1.
What are the key properties of (3R)-N-(4-acetyl-3-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide?
(3R)-N-(4-acetyl-3-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 266.27 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-acetyl-3-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 146596384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).