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

C15H18FN3O — CID 106974284

IUPACN-(2-cyano-3-fluorophenyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2cccc(F)c2C#N)CCCN1
InChIInChI=1S/C15H18FN3O/c1-2-7-15(8-4-9-18-15)14(20)19-13-6-3-5-12(16)11(13)10-17/h3,5-6,18H,2,4,7-9H2,1H3,(H,19,20)
InChIKeyFLMNODJXMOHAIB-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.56
Rot. Bonds4

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

N-(2-cyano-3-fluorophenyl)-2-propylpyrrolidine-2-carboxamide (PubChem CID 106974284) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-(2-cyano-3-fluorophenyl)-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-3-fluorophenyl)-2-propylpyrrolidine-2-carboxamide
PubChem CID106974284
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-(2-cyano-3-fluorophenyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2cccc(F)c2C#N)CCCN1
InChIInChI=1S/C15H18FN3O/c1-2-7-15(8-4-9-18-15)14(20)19-13-6-3-5-12(16)11(13)10-17/h3,5-6,18H,2,4,7-9H2,1H3,(H,19,20)
InChIKeyFLMNODJXMOHAIB-UHFFFAOYSA-N
XLogP2.56
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-3-fluorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071638
N-(2-cyano-3-methylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 107805121
N-(2-cyano-3-fluorophenyl)-4-ethylpiperidine-4-carboxamide
CID 63128180
N-(2,3-dichlorophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974147
N-(2,3-difluorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071591
N-(2-fluoro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974155
N-(2-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974417
N-(2-cyano-3-fluorophenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63138813
N-(2-ethylsulfanylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974526
N-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106973997
2-propyl-N-quinolin-8-ylpyrrolidine-2-carboxamide
CID 106973994
N-[(3-cyanophenyl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106974506

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-fluorophenyl)-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-cyano-3-fluorophenyl)-2-propylpyrrolidine-2-carboxamide (CID 106974284) is N-(2-cyano-3-fluorophenyl)-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-cyano-3-fluorophenyl)-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-cyano-3-fluorophenyl)-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)Nc2cccc(F)c2C#N)CCCN1.
What is the InChIKey of N-(2-cyano-3-fluorophenyl)-2-propylpyrrolidine-2-carboxamide?
The InChIKey is FLMNODJXMOHAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-2-7-15(8-4-9-18-15)14(20)19-13-6-3-5-12(16)11(13)10-17/h3,5-6,18H,2,4,7-9H2,1H3,(H,19,20).
What are the key properties of N-(2-cyano-3-fluorophenyl)-2-propylpyrrolidine-2-carboxamide?
N-(2-cyano-3-fluorophenyl)-2-propylpyrrolidine-2-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 2.56, 4 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-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106974284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).