(2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide

C14H19FN2O — CID 95053549

IUPAC(2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide
SMILESCCCNC(=O)N1CCC[C@H]1c1cccc(F)c1
InChIInChI=1S/C14H19FN2O/c1-2-8-16-14(18)17-9-4-7-13(17)11-5-3-6-12(15)10-11/h3,5-6,10,13H,2,4,7-9H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyIYDRMNFLJYQWMB-ZDUSSCGKSA-N
MW250.32 g/mol
LogP3.08
Rot. Bonds3

About (2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide

(2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide (PubChem CID 95053549) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is (2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide
PubChem CID95053549
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name(2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide
SMILESCCCNC(=O)N1CCC[C@H]1c1cccc(F)c1
InChIInChI=1S/C14H19FN2O/c1-2-8-16-14(18)17-9-4-7-13(17)11-5-3-6-12(15)10-11/h3,5-6,10,13H,2,4,7-9H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyIYDRMNFLJYQWMB-ZDUSSCGKSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 50746912
(2R)-N-(2,5-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51855870
(2R)-N-(4-ethoxyphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51855796
(2S)-2-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidine-1-carboxamide
CID 125436060
(2R)-N-(2,4-difluorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856636
2-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)pyrrolidine-1-carboxamide
CID 110900683
methyl N-[3-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]phenyl]carbamate
CID 87035285
1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one
CID 136578063
N-(2-chlorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 50746949
N-propyl-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 47386252
2-(3-fluorophenyl)piperidine-1-carboxamide
CID 141445896
[1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]urea
CID 47382100

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide (CID 95053549) is (2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide is CCCNC(=O)N1CCC[C@H]1c1cccc(F)c1.
What is the InChIKey of (2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide?
The InChIKey is IYDRMNFLJYQWMB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-8-16-14(18)17-9-4-7-13(17)11-5-3-6-12(15)10-11/h3,5-6,10,13H,2,4,7-9H2,1H3,(H,16,18)/t13-/m0/s1.
What are the key properties of (2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide?
(2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide is sourced from PubChem (CID 95053549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).