3-ethyl-N-(3-fluoro-4-hydroxyphenyl)pyrrolidine-3-carboxamide

C13H17FN2O2 — CID 64782595

IUPAC3-ethyl-N-(3-fluoro-4-hydroxyphenyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2ccc(O)c(F)c2)CCNC1
InChIInChI=1S/C13H17FN2O2/c1-2-13(5-6-15-8-13)12(18)16-9-3-4-11(17)10(14)7-9/h3-4,7,15,17H,2,5-6,8H2,1H3,(H,16,18)
InChIKeySWFTYSOJBMQUIH-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.86
Rot. Bonds3

About 3-ethyl-N-(3-fluoro-4-hydroxyphenyl)pyrrolidine-3-carboxamide

3-ethyl-N-(3-fluoro-4-hydroxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 64782595) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-ethyl-N-(3-fluoro-4-hydroxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(3-fluoro-4-hydroxyphenyl)pyrrolidine-3-carboxamide
PubChem CID64782595
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name3-ethyl-N-(3-fluoro-4-hydroxyphenyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2ccc(O)c(F)c2)CCNC1
InChIInChI=1S/C13H17FN2O2/c1-2-13(5-6-15-8-13)12(18)16-9-3-4-11(17)10(14)7-9/h3-4,7,15,17H,2,5-6,8H2,1H3,(H,16,18)
InChIKeySWFTYSOJBMQUIH-UHFFFAOYSA-N
XLogP1.86
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 3-ethyl-N-(3-fluoro-4-hydroxyphenyl)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-(3-fluoro-4-hydroxyphenyl)-4-propylpiperidine-4-carboxamide
CID 64782428
5-[(3-ethylpyrrolidine-3-carbonyl)amino]-2-fluorobenzoic acid
CID 63139894
N-(3-bromo-4-fluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 104778149
N-(4-bromo-3-methylphenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140591
3-ethyl-N-(3-ethylphenyl)pyrrolidine-3-carboxamide
CID 55165902
3-ethyl-N-quinoxalin-6-ylpyrrolidine-3-carboxamide
CID 63140174
3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63140483
3-ethyl-N-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 55166292
3-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-3-carboxamide
CID 63138345
1-(aminomethyl)-N-(3-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxamide
CID 113311717
3-ethyl-N-[3-(sulfamoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63139750
(3S)-3-ethyl-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 95018921

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-fluoro-4-hydroxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(3-fluoro-4-hydroxyphenyl)pyrrolidine-3-carboxamide (CID 64782595) is 3-ethyl-N-(3-fluoro-4-hydroxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(3-fluoro-4-hydroxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(3-fluoro-4-hydroxyphenyl)pyrrolidine-3-carboxamide is CCC1(C(=O)Nc2ccc(O)c(F)c2)CCNC1.
What is the InChIKey of 3-ethyl-N-(3-fluoro-4-hydroxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is SWFTYSOJBMQUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-2-13(5-6-15-8-13)12(18)16-9-3-4-11(17)10(14)7-9/h3-4,7,15,17H,2,5-6,8H2,1H3,(H,16,18).
What are the key properties of 3-ethyl-N-(3-fluoro-4-hydroxyphenyl)pyrrolidine-3-carboxamide?
3-ethyl-N-(3-fluoro-4-hydroxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-fluoro-4-hydroxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 64782595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).