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

C15H21FN2O — CID 55164556

IUPAC3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N(C)Cc2cccc(F)c2)CCNC1
InChIInChI=1S/C15H21FN2O/c1-3-15(7-8-17-11-15)14(19)18(2)10-12-5-4-6-13(16)9-12/h4-6,9,17H,3,7-8,10-11H2,1-2H3
InChIKeyYRAHOGXRGFHWEN-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.17
Rot. Bonds4

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

3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide (PubChem CID 55164556) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
PubChem CID55164556
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N(C)Cc2cccc(F)c2)CCNC1
InChIInChI=1S/C15H21FN2O/c1-3-15(7-8-17-11-15)14(19)18(2)10-12-5-4-6-13(16)9-12/h4-6,9,17H,3,7-8,10-11H2,1-2H3
InChIKeyYRAHOGXRGFHWEN-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-N-(3-fluorophenyl)-N-methylpyrrolidine-3-carboxamide
CID 63142338
N-[(3-chlorophenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63139872
N-[(3,4-difluorophenyl)methyl]-4-ethyl-N-methylpiperidine-4-carboxamide
CID 63128540
N-[(4-chlorophenyl)methyl]-3-ethyl-N-methylpyrrolidine-3-carboxamide
CID 63140326
3-ethyl-N-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 55165134
N-[(2-chloro-6-fluorophenyl)methyl]-3-ethyl-N-methylpyrrolidine-3-carboxamide
CID 63140449
N-[(3-fluorophenyl)methyl]-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183080
1-amino-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 65466557
N-[(2,4-difluorophenyl)methyl]-4-ethyl-N-methylpiperidine-4-carboxamide
CID 63128461
3-ethyl-N-methyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 63130194
methyl 1-[(3-fluorophenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylate
CID 115184479
N-[(4-bromophenyl)methyl]-3-ethyl-N-methylpiperidine-3-carboxamide
CID 63130855

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide (CID 55164556) is 3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide is CCC1(C(=O)N(C)Cc2cccc(F)c2)CCNC1.
What is the InChIKey of 3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide?
The InChIKey is YRAHOGXRGFHWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-3-15(7-8-17-11-15)14(19)18(2)10-12-5-4-6-13(16)9-12/h4-6,9,17H,3,7-8,10-11H2,1-2H3.
What are the key properties of 3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide?
3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide has a molecular weight of 264.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55164556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).