3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide

C15H21FN2O — CID 81365899

IUPAC3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N[C@H](C)c2cccc(F)c2)CCNC1
InChIInChI=1S/C15H21FN2O/c1-3-15(7-8-17-10-15)14(19)18-11(2)12-5-4-6-13(16)9-12/h4-6,9,11,17H,3,7-8,10H2,1-2H3,(H,18,19)/t11-,15?/m1/s1
InChIKeyLXNDWSHXUVXNJS-ZRKZCGFPSA-N
MW264.34 g/mol
LogP2.39
Rot. Bonds4

About 3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide

3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 81365899) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
PubChem CID81365899
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N[C@H](C)c2cccc(F)c2)CCNC1
InChIInChI=1S/C15H21FN2O/c1-3-15(7-8-17-10-15)14(19)18-11(2)12-5-4-6-13(16)9-12/h4-6,9,11,17H,3,7-8,10H2,1-2H3,(H,18,19)/t11-,15?/m1/s1
InChIKeyLXNDWSHXUVXNJS-ZRKZCGFPSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(3-fluorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81352065
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81353099
3-ethyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 63132202
3-ethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrrolidine-3-carboxamide
CID 81404117
N-[1-(3-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63128913
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 81354852
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 81372776
3-ethyl-N-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 55165134
N-[1-(4-ethoxyphenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139806
1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 81366451
3-ethyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide
CID 81409107
N-[1-(3,4-dichlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 63128584

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide (CID 81365899) is 3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide is CCC1(C(=O)N[C@H](C)c2cccc(F)c2)CCNC1.
What is the InChIKey of 3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is LXNDWSHXUVXNJS-ZRKZCGFPSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-3-15(7-8-17-10-15)14(19)18-11(2)12-5-4-6-13(16)9-12/h4-6,9,11,17H,3,7-8,10H2,1-2H3,(H,18,19)/t11-,15?/m1/s1.
What are the key properties of 3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide?
3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 264.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 81365899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).