4-amino-3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide

C12H15F2N3O — CID 63185966

IUPAC4-amino-3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide
SMILESCN1CCC(NC(=O)c2cc(F)c(N)c(F)c2)C1
InChIInChI=1S/C12H15F2N3O/c1-17-3-2-8(6-17)16-12(18)7-4-9(13)11(15)10(14)5-7/h4-5,8H,2-3,6,15H2,1H3,(H,16,18)
InChIKeyVKCKFQRQDXWENG-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.98
Rot. Bonds2

About 4-amino-3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide

4-amino-3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide (PubChem CID 63185966) has the molecular formula C12H15F2N3O and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-amino-3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide
PubChem CID63185966
Molecular FormulaC12H15F2N3O
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name4-amino-3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide
SMILESCN1CCC(NC(=O)c2cc(F)c(N)c(F)c2)C1
InChIInChI=1S/C12H15F2N3O/c1-17-3-2-8(6-17)16-12(18)7-4-9(13)11(15)10(14)5-7/h4-5,8H,2-3,6,15H2,1H3,(H,16,18)
InChIKeyVKCKFQRQDXWENG-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
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

3,5-difluoro-4-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 63185967
3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110473062
4-amino-3,5-difluoro-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63184925
4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47368477
4-amino-3,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63185576
3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide
CID 61094399
4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 107074871
3-bromo-5-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 104852532
4-amino-N-(3,4-dimethylcyclohexyl)-3,5-difluorobenzamide
CID 64741481
3-fluoro-4-[(1-methylpyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 63189763
4-bromo-3-fluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 47422175
4-amino-N-(3,3-dimethylcyclopentyl)-3,5-difluorobenzamide
CID 114540712

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide?
The IUPAC name of 4-amino-3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide (CID 63185966) is 4-amino-3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 4-amino-3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 4-amino-3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide is CN1CCC(NC(=O)c2cc(F)c(N)c(F)c2)C1.
What is the InChIKey of 4-amino-3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide?
The InChIKey is VKCKFQRQDXWENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O/c1-17-3-2-8(6-17)16-12(18)7-4-9(13)11(15)10(14)5-7/h4-5,8H,2-3,6,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide?
4-amino-3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide has a molecular weight of 255.27 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 63185966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).