3-amino-2,5-difluoro-N-(1-methylpiperidin-3-yl)benzamide

C13H17F2N3O — CID 107120812

IUPAC3-amino-2,5-difluoro-N-(1-methylpiperidin-3-yl)benzamide
SMILESCN1CCCC(NC(=O)c2cc(F)cc(N)c2F)C1
InChIInChI=1S/C13H17F2N3O/c1-18-4-2-3-9(7-18)17-13(19)10-5-8(14)6-11(16)12(10)15/h5-6,9H,2-4,7,16H2,1H3,(H,17,19)
InChIKeyDTEKBOSEHDOBHK-UHFFFAOYSA-N
MW269.29 g/mol
LogP1.37
Rot. Bonds2

About 3-amino-2,5-difluoro-N-(1-methylpiperidin-3-yl)benzamide

3-amino-2,5-difluoro-N-(1-methylpiperidin-3-yl)benzamide (PubChem CID 107120812) has the molecular formula C13H17F2N3O and a molecular weight of 269.29 g/mol. Its IUPAC name is 3-amino-2,5-difluoro-N-(1-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-2,5-difluoro-N-(1-methylpiperidin-3-yl)benzamide
PubChem CID107120812
Molecular FormulaC13H17F2N3O
Molecular Weight269.29 g/mol
Exact Mass269.13
IUPAC Name3-amino-2,5-difluoro-N-(1-methylpiperidin-3-yl)benzamide
SMILESCN1CCCC(NC(=O)c2cc(F)cc(N)c2F)C1
InChIInChI=1S/C13H17F2N3O/c1-18-4-2-3-9(7-18)17-13(19)10-5-8(14)6-11(16)12(10)15/h5-6,9H,2-4,7,16H2,1H3,(H,17,19)
InChIKeyDTEKBOSEHDOBHK-UHFFFAOYSA-N
XLogP1.37
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 51.37
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

4-fluoro-2-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 112702652
3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,5-difluorobenzamide
CID 107121293
5-amino-2,4-dimethyl-N-(1-methylpiperidin-3-yl)benzamide
CID 102705323
N-[1-(3-amino-2,5-difluorobenzoyl)piperidin-3-yl]acetamide
CID 107120711
3-amino-2,5-difluoro-N-(oxolan-3-yl)benzamide
CID 107121271
4-amino-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
CID 81243197
2-hydroxy-N-(1-methylpiperidin-3-yl)benzamide
CID 47344376
3-amino-2,5-difluoro-N-(2-methylcycloheptyl)benzamide
CID 107121182
3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 61211762
3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110473062
3-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,5-difluorobenzamide
CID 107121092
2,4-dibromo-N-(1-methylpiperidin-3-yl)benzamide
CID 103882624

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-difluoro-N-(1-methylpiperidin-3-yl)benzamide?
The IUPAC name of 3-amino-2,5-difluoro-N-(1-methylpiperidin-3-yl)benzamide (CID 107120812) is 3-amino-2,5-difluoro-N-(1-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 3-amino-2,5-difluoro-N-(1-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 3-amino-2,5-difluoro-N-(1-methylpiperidin-3-yl)benzamide is CN1CCCC(NC(=O)c2cc(F)cc(N)c2F)C1.
What is the InChIKey of 3-amino-2,5-difluoro-N-(1-methylpiperidin-3-yl)benzamide?
The InChIKey is DTEKBOSEHDOBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O/c1-18-4-2-3-9(7-18)17-13(19)10-5-8(14)6-11(16)12(10)15/h5-6,9H,2-4,7,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-2,5-difluoro-N-(1-methylpiperidin-3-yl)benzamide?
3-amino-2,5-difluoro-N-(1-methylpiperidin-3-yl)benzamide has a molecular weight of 269.29 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-difluoro-N-(1-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 107120812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).