3-amino-2,6-difluoro-N-(2-hydroxy-2-methylpentyl)benzamide

C13H18F2N2O2 — CID 106289252

IUPAC3-amino-2,6-difluoro-N-(2-hydroxy-2-methylpentyl)benzamide
SMILESCCCC(C)(O)CNC(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C13H18F2N2O2/c1-3-6-13(2,19)7-17-12(18)10-8(14)4-5-9(16)11(10)15/h4-5,19H,3,6-7,16H2,1-2H3,(H,17,18)
InChIKeyABRWYVSWGOYSCF-UHFFFAOYSA-N
MW272.29 g/mol
LogP1.83
Rot. Bonds5

About 3-amino-2,6-difluoro-N-(2-hydroxy-2-methylpentyl)benzamide

3-amino-2,6-difluoro-N-(2-hydroxy-2-methylpentyl)benzamide (PubChem CID 106289252) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.29 g/mol. Its IUPAC name is 3-amino-2,6-difluoro-N-(2-hydroxy-2-methylpentyl)benzamide.

Molecular Properties

Compound Name3-amino-2,6-difluoro-N-(2-hydroxy-2-methylpentyl)benzamide
PubChem CID106289252
Molecular FormulaC13H18F2N2O2
Molecular Weight272.29 g/mol
Exact Mass272.13
IUPAC Name3-amino-2,6-difluoro-N-(2-hydroxy-2-methylpentyl)benzamide
SMILESCCCC(C)(O)CNC(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C13H18F2N2O2/c1-3-6-13(2,19)7-17-12(18)10-8(14)4-5-9(16)11(10)15/h4-5,19H,3,6-7,16H2,1-2H3,(H,17,18)
InChIKeyABRWYVSWGOYSCF-UHFFFAOYSA-N
XLogP1.83
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2,6-difluoro-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 113478500
2-amino-N-(2-hydroxy-2-methylpentyl)-5-methoxybenzamide
CID 106289273
4-fluoro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240357
5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 103842862
3-amino-2,6-difluoro-N-[(1-methylcyclopropyl)methyl]benzamide
CID 114098972
3-amino-2,6-difluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79772907
3-amino-N-[2-[ethyl(methyl)amino]ethyl]-2,6-difluorobenzamide
CID 79772967
3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylbenzamide
CID 106289291
3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide
CID 79772736
3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide
CID 79773787
3-amino-2,6-difluoro-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 79772754
3-amino-4-bromo-N-(2-hydroxy-2-methylpentyl)benzamide
CID 106289346

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-difluoro-N-(2-hydroxy-2-methylpentyl)benzamide?
The IUPAC name of 3-amino-2,6-difluoro-N-(2-hydroxy-2-methylpentyl)benzamide (CID 106289252) is 3-amino-2,6-difluoro-N-(2-hydroxy-2-methylpentyl)benzamide.
What is the SMILES notation for 3-amino-2,6-difluoro-N-(2-hydroxy-2-methylpentyl)benzamide?
The canonical SMILES for 3-amino-2,6-difluoro-N-(2-hydroxy-2-methylpentyl)benzamide is CCCC(C)(O)CNC(=O)c1c(F)ccc(N)c1F.
What is the InChIKey of 3-amino-2,6-difluoro-N-(2-hydroxy-2-methylpentyl)benzamide?
The InChIKey is ABRWYVSWGOYSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-3-6-13(2,19)7-17-12(18)10-8(14)4-5-9(16)11(10)15/h4-5,19H,3,6-7,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-2,6-difluoro-N-(2-hydroxy-2-methylpentyl)benzamide?
3-amino-2,6-difluoro-N-(2-hydroxy-2-methylpentyl)benzamide has a molecular weight of 272.29 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-difluoro-N-(2-hydroxy-2-methylpentyl)benzamide is sourced from PubChem (CID 106289252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).