3-amino-2,5-difluoro-N-(2-methylcycloheptyl)benzamide

C15H20F2N2O — CID 107121182

IUPAC3-amino-2,5-difluoro-N-(2-methylcycloheptyl)benzamide
SMILESCC1CCCCCC1NC(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C15H20F2N2O/c1-9-5-3-2-4-6-13(9)19-15(20)11-7-10(16)8-12(18)14(11)17/h7-9,13H,2-6,18H2,1H3,(H,19,20)
InChIKeyBMQCOIJRQCWOLX-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.25
Rot. Bonds2

About 3-amino-2,5-difluoro-N-(2-methylcycloheptyl)benzamide

3-amino-2,5-difluoro-N-(2-methylcycloheptyl)benzamide (PubChem CID 107121182) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 3-amino-2,5-difluoro-N-(2-methylcycloheptyl)benzamide.

Molecular Properties

Compound Name3-amino-2,5-difluoro-N-(2-methylcycloheptyl)benzamide
PubChem CID107121182
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name3-amino-2,5-difluoro-N-(2-methylcycloheptyl)benzamide
SMILESCC1CCCCCC1NC(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C15H20F2N2O/c1-9-5-3-2-4-6-13(9)19-15(20)11-7-10(16)8-12(18)14(11)17/h7-9,13H,2-6,18H2,1H3,(H,19,20)
InChIKeyBMQCOIJRQCWOLX-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-fluoro-N-(2-methylcyclohexyl)benzamide
CID 62073290
3-amino-2,5-difluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 107120812
2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 51166100
2-amino-5-hydroxy-N-(2-methylcyclopentyl)benzamide
CID 107075272
3-amino-2,5-difluoro-N-(oxolan-3-yl)benzamide
CID 107121271
3,5-diamino-N-(2-methylcyclohexyl)benzamide
CID 61090027
4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 2098476
2-amino-3-fluoro-N-(2-methylcyclopentyl)benzamide
CID 63279485
2-amino-5-fluoro-N-(2-hydroxycyclohexyl)benzamide
CID 62366282
2,4-dihydroxy-N-(2-methylcycloheptyl)benzamide
CID 103714355
4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 30117194
2,5-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]furan-3-carboxamide
CID 7028594

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-difluoro-N-(2-methylcycloheptyl)benzamide?
The IUPAC name of 3-amino-2,5-difluoro-N-(2-methylcycloheptyl)benzamide (CID 107121182) is 3-amino-2,5-difluoro-N-(2-methylcycloheptyl)benzamide.
What is the SMILES notation for 3-amino-2,5-difluoro-N-(2-methylcycloheptyl)benzamide?
The canonical SMILES for 3-amino-2,5-difluoro-N-(2-methylcycloheptyl)benzamide is CC1CCCCCC1NC(=O)c1cc(F)cc(N)c1F.
What is the InChIKey of 3-amino-2,5-difluoro-N-(2-methylcycloheptyl)benzamide?
The InChIKey is BMQCOIJRQCWOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-9-5-3-2-4-6-13(9)19-15(20)11-7-10(16)8-12(18)14(11)17/h7-9,13H,2-6,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-2,5-difluoro-N-(2-methylcycloheptyl)benzamide?
3-amino-2,5-difluoro-N-(2-methylcycloheptyl)benzamide has a molecular weight of 282.33 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-difluoro-N-(2-methylcycloheptyl)benzamide is sourced from PubChem (CID 107121182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).