1-(4-amino-2,6-difluorophenyl)-N-methylpyrrolidine-2-carboxamide

C12H15F2N3O — CID 54986454

IUPAC1-(4-amino-2,6-difluorophenyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1c(F)cc(N)cc1F
InChIInChI=1S/C12H15F2N3O/c1-16-12(18)10-3-2-4-17(10)11-8(13)5-7(15)6-9(11)14/h5-6,10H,2-4,15H2,1H3,(H,16,18)
InChIKeyZNJRVRZEQGLKFF-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.26
Rot. Bonds2

About 1-(4-amino-2,6-difluorophenyl)-N-methylpyrrolidine-2-carboxamide

1-(4-amino-2,6-difluorophenyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 54986454) has the molecular formula C12H15F2N3O and a molecular weight of 255.27 g/mol. Its IUPAC name is 1-(4-amino-2,6-difluorophenyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-amino-2,6-difluorophenyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID54986454
Molecular FormulaC12H15F2N3O
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name1-(4-amino-2,6-difluorophenyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1c(F)cc(N)cc1F
InChIInChI=1S/C12H15F2N3O/c1-16-12(18)10-3-2-4-17(10)11-8(13)5-7(15)6-9(11)14/h5-6,10H,2-4,15H2,1H3,(H,16,18)
InChIKeyZNJRVRZEQGLKFF-UHFFFAOYSA-N
XLogP1.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.26
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-amino-2,6-difluorophenyl)piperidine-2-carboxamide
CID 54985308
1-(2-amino-4-fluoro-5-methylphenyl)-N-methylpyrrolidine-2-carboxamide
CID 103590158
1-(3,4-diaminophenyl)-N-methylpyrrolidine-2-carboxamide
CID 106750593
1-(5-amino-3-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 104533673
1-(6-fluoropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 115416730
1-(5-amino-2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 54978967
1-(5-amino-3-bromo-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 79532299
1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 80905623
1-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 114564561
1-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80806770
1-[2-amino-5-(methylcarbamoyl)phenyl]-N-methylpyrrolidine-2-carboxamide
CID 63357045
1-(2-amino-5-carbamoylphenyl)-N-methylpyrrolidine-2-carboxamide
CID 63356602

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,6-difluorophenyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-amino-2,6-difluorophenyl)-N-methylpyrrolidine-2-carboxamide (CID 54986454) is 1-(4-amino-2,6-difluorophenyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-amino-2,6-difluorophenyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-amino-2,6-difluorophenyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1c1c(F)cc(N)cc1F.
What is the InChIKey of 1-(4-amino-2,6-difluorophenyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is ZNJRVRZEQGLKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O/c1-16-12(18)10-3-2-4-17(10)11-8(13)5-7(15)6-9(11)14/h5-6,10H,2-4,15H2,1H3,(H,16,18).
What are the key properties of 1-(4-amino-2,6-difluorophenyl)-N-methylpyrrolidine-2-carboxamide?
1-(4-amino-2,6-difluorophenyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 255.27 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,6-difluorophenyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 54986454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).