1-(4-cyano-2,6-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide

C14H15F2N3O — CID 106150508

IUPAC1-(4-cyano-2,6-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2c(F)cc(C#N)cc2F)C1
InChIInChI=1S/C14H15F2N3O/c1-14(13(20)18-2)3-4-19(8-14)12-10(15)5-9(7-17)6-11(12)16/h5-6H,3-4,8H2,1-2H3,(H,18,20)
InChIKeyADFAGKNBVRXMLR-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.80
Rot. Bonds2

About 1-(4-cyano-2,6-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(4-cyano-2,6-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106150508) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-(4-cyano-2,6-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-cyano-2,6-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106150508
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name1-(4-cyano-2,6-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2c(F)cc(C#N)cc2F)C1
InChIInChI=1S/C14H15F2N3O/c1-14(13(20)18-2)3-4-19(8-14)12-10(15)5-9(7-17)6-11(12)16/h5-6H,3-4,8H2,1-2H3,(H,18,20)
InChIKeyADFAGKNBVRXMLR-UHFFFAOYSA-N
XLogP1.80
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-carbamothioyl-2,6-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318501
1-(2-amino-5-cyanophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317647
1-(6-amino-2,3-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317572
1-(5-chloro-2-cyanophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150510
1-(4-cyano-2,6-difluorophenyl)-4-ethylpiperidine-4-carboxylic acid
CID 81285251
1-(6-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150514
1-(3-cyanobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151815
1-(2-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318434
1-(3-cyano-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150543
1-[2-(4-cyanophenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151787
1-[(4-cyano-2-methylphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150947
1-(4-cyano-3-nitrophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318429

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-2,6-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-cyano-2,6-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106150508) is 1-(4-cyano-2,6-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-cyano-2,6-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-cyano-2,6-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(c2c(F)cc(C#N)cc2F)C1.
What is the InChIKey of 1-(4-cyano-2,6-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is ADFAGKNBVRXMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-14(13(20)18-2)3-4-19(8-14)12-10(15)5-9(7-17)6-11(12)16/h5-6H,3-4,8H2,1-2H3,(H,18,20).
What are the key properties of 1-(4-cyano-2,6-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(4-cyano-2,6-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 279.29 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-2,6-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106150508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).