3-ethyl-N-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide

C14H19FN2O — CID 55165134

IUPAC3-ethyl-N-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCc2cccc(F)c2)CCNC1
InChIInChI=1S/C14H19FN2O/c1-2-14(6-7-16-10-14)13(18)17-9-11-4-3-5-12(15)8-11/h3-5,8,16H,2,6-7,9-10H2,1H3,(H,17,18)
InChIKeyXEELGTMAKGXJGU-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.83
Rot. Bonds4

About 3-ethyl-N-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide

3-ethyl-N-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 55165134) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-ethyl-N-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID55165134
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name3-ethyl-N-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCc2cccc(F)c2)CCNC1
InChIInChI=1S/C14H19FN2O/c1-2-14(6-7-16-10-14)13(18)17-9-11-4-3-5-12(15)8-11/h3-5,8,16H,2,6-7,9-10H2,1H3,(H,17,18)
InChIKeyXEELGTMAKGXJGU-UHFFFAOYSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-N-[(3-fluorophenyl)methyl]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

4-ethyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 63127725
N-[(3-fluorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127726
3-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 107218375
3-ethyl-N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
CID 63139949
N-[(2,4-difluorophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 55166503
N-[(3-carbamoylphenyl)methyl]-3-ethylpiperidine-3-carboxamide
CID 63135121
N-[(4-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 55166669
3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 55164556
3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81365899
3-ethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidine-3-carboxamide
CID 106384775
N-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142496
N-[[3-(methoxymethyl)phenyl]methyl]-3-propylpyrrolidine-3-carboxamide
CID 63144041

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide (CID 55165134) is 3-ethyl-N-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide is CCC1(C(=O)NCc2cccc(F)c2)CCNC1.
What is the InChIKey of 3-ethyl-N-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is XEELGTMAKGXJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-14(6-7-16-10-14)13(18)17-9-11-4-3-5-12(15)8-11/h3-5,8,16H,2,6-7,9-10H2,1H3,(H,17,18).
What are the key properties of 3-ethyl-N-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide?
3-ethyl-N-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55165134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).