N-(2-cyano-3-fluorophenyl)-2-ethylpyrrolidine-2-carboxamide

C14H16FN3O — CID 83071638

IUPACN-(2-cyano-3-fluorophenyl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2cccc(F)c2C#N)CCCN1
InChIInChI=1S/C14H16FN3O/c1-2-14(7-4-8-17-14)13(19)18-12-6-3-5-11(15)10(12)9-16/h3,5-6,17H,2,4,7-8H2,1H3,(H,18,19)
InChIKeyAQYFPNVHDPWPBG-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.17
Rot. Bonds3

About N-(2-cyano-3-fluorophenyl)-2-ethylpyrrolidine-2-carboxamide

N-(2-cyano-3-fluorophenyl)-2-ethylpyrrolidine-2-carboxamide (PubChem CID 83071638) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-(2-cyano-3-fluorophenyl)-2-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-3-fluorophenyl)-2-ethylpyrrolidine-2-carboxamide
PubChem CID83071638
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-(2-cyano-3-fluorophenyl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2cccc(F)c2C#N)CCCN1
InChIInChI=1S/C14H16FN3O/c1-2-14(7-4-8-17-14)13(19)18-12-6-3-5-11(15)10(12)9-16/h3,5-6,17H,2,4,7-8H2,1H3,(H,18,19)
InChIKeyAQYFPNVHDPWPBG-UHFFFAOYSA-N
XLogP2.17
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-3-fluorophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974284
N-(2-cyano-3-methylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 107805121
N-(2,3-difluorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071591
N-(2-cyano-3-fluorophenyl)-4-ethylpiperidine-4-carboxamide
CID 63128180
N-(2-cyano-3-fluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63138813
N-(2-bromo-4-cyanophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071648
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-fluoro-4-nitrophenyl)pyrrolidine-2-carboxamide
CID 83071836
2-ethyl-N-(2-methylquinolin-8-yl)pyrrolidine-2-carboxamide
CID 83063118
N-(2-cyano-6-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 107467735
N-(2-cyano-3-fluorophenyl)propanamide
CID 43580352

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-fluorophenyl)-2-ethylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-cyano-3-fluorophenyl)-2-ethylpyrrolidine-2-carboxamide (CID 83071638) is N-(2-cyano-3-fluorophenyl)-2-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-cyano-3-fluorophenyl)-2-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-cyano-3-fluorophenyl)-2-ethylpyrrolidine-2-carboxamide is CCC1(C(=O)Nc2cccc(F)c2C#N)CCCN1.
What is the InChIKey of N-(2-cyano-3-fluorophenyl)-2-ethylpyrrolidine-2-carboxamide?
The InChIKey is AQYFPNVHDPWPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-2-14(7-4-8-17-14)13(19)18-12-6-3-5-11(15)10(12)9-16/h3,5-6,17H,2,4,7-8H2,1H3,(H,18,19).
What are the key properties of N-(2-cyano-3-fluorophenyl)-2-ethylpyrrolidine-2-carboxamide?
N-(2-cyano-3-fluorophenyl)-2-ethylpyrrolidine-2-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-fluorophenyl)-2-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 83071638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).