N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide

C13H17FN2O2 — CID 113241349

IUPACN-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCC(CCO)C1
InChIInChI=1S/C13H17FN2O2/c14-11-3-1-2-4-12(11)15-13(18)16-7-5-10(9-16)6-8-17/h1-4,10,17H,5-9H2,(H,15,18)
InChIKeyLCDUJZRLFFXILU-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.06
Rot. Bonds3

About N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide

N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide (PubChem CID 113241349) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
PubChem CID113241349
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCC(CCO)C1
InChIInChI=1S/C13H17FN2O2/c14-11-3-1-2-4-12(11)15-13(18)16-7-5-10(9-16)6-8-17/h1-4,10,17H,5-9H2,(H,15,18)
InChIKeyLCDUJZRLFFXILU-UHFFFAOYSA-N
XLogP2.06
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluorophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115648320
N-(2-fluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127859
N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965
N-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 111798569
4-fluoro-2-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 114799068
3-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide
CID 91917768
N-(2,5-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 115667783
N-(5-fluoro-2-phenoxyphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 71854681
3-(cyclopropylmethoxy)-N-(2-fluorophenyl)pyrrolidine-1-carboxamide
CID 121197683
(3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79410579
3-(hydroxymethyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-1-carboxamide
CID 111442897
3-(2-aminoethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 114802238

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide (CID 113241349) is N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide is O=C(Nc1ccccc1F)N1CCC(CCO)C1.
What is the InChIKey of N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide?
The InChIKey is LCDUJZRLFFXILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-11-3-1-2-4-12(11)15-13(18)16-7-5-10(9-16)6-8-17/h1-4,10,17H,5-9H2,(H,15,18).
What are the key properties of N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide?
N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 113241349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).