N-[2-(3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide

C13H17FN2O2 — CID 43566272

IUPACN-[2-(3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C1CC(O)CN1
InChIInChI=1S/C13H17FN2O2/c14-10-3-1-2-9(6-10)4-5-15-13(18)12-7-11(17)8-16-12/h1-3,6,11-12,16-17H,4-5,7-8H2,(H,15,18)
InChIKeySRRYAXXDGVDLQA-UHFFFAOYSA-N
MW252.29 g/mol
LogP0.21
Rot. Bonds4

About N-[2-(3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide

N-[2-(3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 43566272) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID43566272
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C1CC(O)CN1
InChIInChI=1S/C13H17FN2O2/c14-10-3-1-2-9(6-10)4-5-15-13(18)12-7-11(17)8-16-12/h1-3,6,11-12,16-17H,4-5,7-8H2,(H,15,18)
InChIKeySRRYAXXDGVDLQA-UHFFFAOYSA-N
XLogP0.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-(3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-fluorophenyl)ethyl]thiomorpholine-3-carboxamide
CID 82906717
(2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28943713
(2R,4R)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125148120
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43120779
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119739957
2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336
(2S,4R)-N-[2-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125153528
(2S,4S)-N-[2-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120618703
N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 43566290
N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119741551
4-hydroxy-N-(2-phenylmethoxyethyl)pyrrolidine-2-carboxamide
CID 119770161

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide (CID 43566272) is N-[2-(3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide is O=C(NCCc1cccc(F)c1)C1CC(O)CN1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is SRRYAXXDGVDLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-10-3-1-2-9(6-10)4-5-15-13(18)12-7-11(17)8-16-12/h1-3,6,11-12,16-17H,4-5,7-8H2,(H,15,18).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
N-[2-(3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 43566272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).