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

C13H17F2N3O — CID 106317572

IUPAC1-(6-amino-2,3-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2c(N)ccc(F)c2F)C1
InChIInChI=1S/C13H17F2N3O/c1-13(12(19)17-2)5-6-18(7-13)11-9(16)4-3-8(14)10(11)15/h3-4H,5-7,16H2,1-2H3,(H,17,19)
InChIKeyIRMFRKULTWDSTN-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.51
Rot. Bonds2

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

1-(6-amino-2,3-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106317572) has the molecular formula C13H17F2N3O and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(6-amino-2,3-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-amino-2,3-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106317572
Molecular FormulaC13H17F2N3O
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name1-(6-amino-2,3-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2c(N)ccc(F)c2F)C1
InChIInChI=1S/C13H17F2N3O/c1-13(12(19)17-2)5-6-18(7-13)11-9(16)4-3-8(14)10(11)15/h3-4H,5-7,16H2,1-2H3,(H,17,19)
InChIKeyIRMFRKULTWDSTN-UHFFFAOYSA-N
XLogP1.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-carbamothioyl-2,6-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318501
1-(4-cyano-2,6-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150508
1-(4-amino-5-carbamoyl-2-fluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321402
3-amino-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]benzoic acid
CID 106321390
1-[4-(aminomethyl)-2,3-difluorophenyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317750
1-(2-amino-5-cyanophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317647
1-(2-aminoquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322406
1-(2-fluoro-4-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321026
1-(2-amino-4-sulfamoylphenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317628
1-(2-carbamothioyl-4-chlorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318502
1-(6-amino-2,3-difluorophenyl)-N-methylpiperidine-3-carboxamide
CID 103194423
1-(5-chloro-2-cyanophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150510

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2,3-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(6-amino-2,3-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106317572) is 1-(6-amino-2,3-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(6-amino-2,3-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(6-amino-2,3-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(c2c(N)ccc(F)c2F)C1.
What is the InChIKey of 1-(6-amino-2,3-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is IRMFRKULTWDSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O/c1-13(12(19)17-2)5-6-18(7-13)11-9(16)4-3-8(14)10(11)15/h3-4H,5-7,16H2,1-2H3,(H,17,19).
What are the key properties of 1-(6-amino-2,3-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(6-amino-2,3-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2,3-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106317572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).