N-(2,3-difluorophenyl)-2-ethylpyrrolidine-2-carboxamide

C13H16F2N2O — CID 83071591

IUPACN-(2,3-difluorophenyl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2cccc(F)c2F)CCCN1
InChIInChI=1S/C13H16F2N2O/c1-2-13(7-4-8-16-13)12(18)17-10-6-3-5-9(14)11(10)15/h3,5-6,16H,2,4,7-8H2,1H3,(H,17,18)
InChIKeyHNMXIOLADYQOKL-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.44
Rot. Bonds3

About N-(2,3-difluorophenyl)-2-ethylpyrrolidine-2-carboxamide

N-(2,3-difluorophenyl)-2-ethylpyrrolidine-2-carboxamide (PubChem CID 83071591) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-2-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-2-ethylpyrrolidine-2-carboxamide
PubChem CID83071591
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC NameN-(2,3-difluorophenyl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2cccc(F)c2F)CCCN1
InChIInChI=1S/C13H16F2N2O/c1-2-13(7-4-8-16-13)12(18)17-10-6-3-5-9(14)11(10)15/h3,5-6,16H,2,4,7-8H2,1H3,(H,17,18)
InChIKeyHNMXIOLADYQOKL-UHFFFAOYSA-N
XLogP2.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyano-3-fluorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071638
2-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 83080609
2-ethyl-N-(2-ethylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 83063260
2-ethyl-N-(2-methylquinolin-8-yl)pyrrolidine-2-carboxamide
CID 83063118
N-(2-cyano-3-methylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 107805121
N-(2-cyano-3-fluorophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974284
N-(2,3-difluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63143656
2-ethyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide
CID 83072170
N-(2,5-dichlorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83080071
2-ethyl-N-(2-fluoro-4-nitrophenyl)pyrrolidine-2-carboxamide
CID 83071836
2-ethyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 83080247
2-ethyl-N-(2-ethyl-6-methylphenyl)pyrrolidine-2-carboxamide
CID 83080160

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-2-ethylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2,3-difluorophenyl)-2-ethylpyrrolidine-2-carboxamide (CID 83071591) is N-(2,3-difluorophenyl)-2-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,3-difluorophenyl)-2-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,3-difluorophenyl)-2-ethylpyrrolidine-2-carboxamide is CCC1(C(=O)Nc2cccc(F)c2F)CCCN1.
What is the InChIKey of N-(2,3-difluorophenyl)-2-ethylpyrrolidine-2-carboxamide?
The InChIKey is HNMXIOLADYQOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-2-13(7-4-8-16-13)12(18)17-10-6-3-5-9(14)11(10)15/h3,5-6,16H,2,4,7-8H2,1H3,(H,17,18).
What are the key properties of N-(2,3-difluorophenyl)-2-ethylpyrrolidine-2-carboxamide?
N-(2,3-difluorophenyl)-2-ethylpyrrolidine-2-carboxamide has a molecular weight of 254.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-2-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 83071591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).