1-(3-cyano-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride

C13H15ClFN3O — CID 175704598

IUPAC1-(3-cyano-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCC1C(C(N)=O)CCN1c1ccc(F)c(C#N)c1.Cl
InChIInChI=1S/C13H14FN3O.ClH/c1-8-11(13(16)18)4-5-17(8)10-2-3-12(14)9(6-10)7-15;/h2-3,6,8,11H,4-5H2,1H3,(H2,16,18);1H
InChIKeyYVYNHYCDRHKZGO-UHFFFAOYSA-N
MW283.73 g/mol
LogP1.82
Rot. Bonds2

About 1-(3-cyano-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride

1-(3-cyano-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 175704598) has the molecular formula C13H15ClFN3O and a molecular weight of 283.73 g/mol. Its IUPAC name is 1-(3-cyano-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-cyano-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID175704598
Molecular FormulaC13H15ClFN3O
Molecular Weight283.73 g/mol
Exact Mass283.09
IUPAC Name1-(3-cyano-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCC1C(C(N)=O)CCN1c1ccc(F)c(C#N)c1.Cl
InChIInChI=1S/C13H14FN3O.ClH/c1-8-11(13(16)18)4-5-17(8)10-2-3-12(14)9(6-10)7-15;/h2-3,6,8,11H,4-5H2,1H3,(H2,16,18);1H
InChIKeyYVYNHYCDRHKZGO-UHFFFAOYSA-N
XLogP1.82
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(3-cyano-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride (CID 175704598) is 1-(3-cyano-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-cyano-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-cyano-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride is CC1C(C(N)=O)CCN1c1ccc(F)c(C#N)c1.Cl.
What is the InChIKey of 1-(3-cyano-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is YVYNHYCDRHKZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O.ClH/c1-8-11(13(16)18)4-5-17(8)10-2-3-12(14)9(6-10)7-15;/h2-3,6,8,11H,4-5H2,1H3,(H2,16,18);1H.
What are the key properties of 1-(3-cyano-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride?
1-(3-cyano-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 283.73 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 175704598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).