N-[2-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxamide

C13H16F2N2O — CID 115159581

IUPACN-[2-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCc1cc(F)ccc1F)C1CCNC1
InChIInChI=1S/C13H16F2N2O/c14-11-1-2-12(15)9(7-11)4-6-17-13(18)10-3-5-16-8-10/h1-2,7,10,16H,3-6,8H2,(H,17,18)
InChIKeySVJATEABUXMMHZ-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.23
Rot. Bonds4

About N-[2-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxamide

N-[2-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 115159581) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxamide
PubChem CID115159581
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC NameN-[2-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCc1cc(F)ccc1F)C1CCNC1
InChIInChI=1S/C13H16F2N2O/c14-11-1-2-12(15)9(7-11)4-6-17-13(18)10-3-5-16-8-10/h1-2,7,10,16H,3-6,8H2,(H,17,18)
InChIKeySVJATEABUXMMHZ-UHFFFAOYSA-N
XLogP1.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(2,5-difluorophenyl)ethyl]pyrrolidine-3-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-(6-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119706148
(3R)-N-[2-(4-fluoro-2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81134243
N-[(5-chloro-2-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 115159517
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 16769811
9-amino-N-[2-(2,5-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991618
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119263949
N-[2-(3-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 43566290
N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679710
N-[3-(4-fluorophenyl)sulfanylpropyl]pyrrolidine-3-carboxamide
CID 119683976
N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119705639
N-[2-(2-ethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119772912
N-[2-(3,4-difluorophenyl)ethyl]piperidine-4-carboxamide
CID 115160034

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxamide (CID 115159581) is N-[2-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxamide is O=C(NCCc1cc(F)ccc1F)C1CCNC1.
What is the InChIKey of N-[2-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is SVJATEABUXMMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c14-11-1-2-12(15)9(7-11)4-6-17-13(18)10-3-5-16-8-10/h1-2,7,10,16H,3-6,8H2,(H,17,18).
What are the key properties of N-[2-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxamide?
N-[2-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 254.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 115159581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).