N-[1-(2,5-difluorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide

C15H20F2N2O — CID 83072179

IUPACN-[1-(2,5-difluorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NC(C)c2cc(F)ccc2F)CCCN1
InChIInChI=1S/C15H20F2N2O/c1-3-15(7-4-8-18-15)14(20)19-10(2)12-9-11(16)5-6-13(12)17/h5-6,9-10,18H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKeyHOTMJJWUJJWNEH-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.67
Rot. Bonds4

About N-[1-(2,5-difluorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide

N-[1-(2,5-difluorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide (PubChem CID 83072179) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide
PubChem CID83072179
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NC(C)c2cc(F)ccc2F)CCCN1
InChIInChI=1S/C15H20F2N2O/c1-3-15(7-4-8-18-15)14(20)19-10(2)12-9-11(16)5-6-13(12)17/h5-6,9-10,18H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKeyHOTMJJWUJJWNEH-UHFFFAOYSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide
CID 83080607
1-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide
CID 115447485
N-[1-(2-fluorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106974513
2-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 83064202
N-[1-(2,4-dichlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106974134
2-ethyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide
CID 83072170
2-ethyl-N-[(1S)-1-pyridin-2-ylethyl]pyrrolidine-2-carboxamide
CID 83073993
2-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 83080161
(2R)-2-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 129381268
2-ethyl-N-(1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide
CID 83080528
2-ethyl-N-(5-fluoro-2-nitrophenyl)pyrrolidine-2-carboxamide
CID 83073858
2-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 83080609

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide (CID 83072179) is N-[1-(2,5-difluorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide is CCC1(C(=O)NC(C)c2cc(F)ccc2F)CCCN1.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide?
The InChIKey is HOTMJJWUJJWNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-3-15(7-4-8-18-15)14(20)19-10(2)12-9-11(16)5-6-13(12)17/h5-6,9-10,18H,3-4,7-8H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide?
N-[1-(2,5-difluorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide has a molecular weight of 282.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 83072179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).