3-amino-2,5-difluoro-N-(6-hydroxyhexyl)benzamide

C13H18F2N2O2 — CID 107843161

IUPAC3-amino-2,5-difluoro-N-(6-hydroxyhexyl)benzamide
SMILESNc1cc(F)cc(C(=O)NCCCCCCO)c1F
InChIInChI=1S/C13H18F2N2O2/c14-9-7-10(12(15)11(16)8-9)13(19)17-5-3-1-2-4-6-18/h7-8,18H,1-6,16H2,(H,17,19)
InChIKeyOVJDUFJKSPTQEM-UHFFFAOYSA-N
MW272.29 g/mol
LogP1.83
Rot. Bonds7

About 3-amino-2,5-difluoro-N-(6-hydroxyhexyl)benzamide

3-amino-2,5-difluoro-N-(6-hydroxyhexyl)benzamide (PubChem CID 107843161) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.29 g/mol. Its IUPAC name is 3-amino-2,5-difluoro-N-(6-hydroxyhexyl)benzamide.

Molecular Properties

Compound Name3-amino-2,5-difluoro-N-(6-hydroxyhexyl)benzamide
PubChem CID107843161
Molecular FormulaC13H18F2N2O2
Molecular Weight272.29 g/mol
Exact Mass272.13
IUPAC Name3-amino-2,5-difluoro-N-(6-hydroxyhexyl)benzamide
SMILESNc1cc(F)cc(C(=O)NCCCCCCO)c1F
InChIInChI=1S/C13H18F2N2O2/c14-9-7-10(12(15)11(16)8-9)13(19)17-5-3-1-2-4-6-18/h7-8,18H,1-6,16H2,(H,17,19)
InChIKeyOVJDUFJKSPTQEM-UHFFFAOYSA-N
XLogP1.83
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-butyl-2,5-difluorobenzamide
CID 107120407
3-amino-2,5-difluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 107120993
3-amino-2,5-difluoro-N-(4-hydroxypentyl)benzamide
CID 114145958
2,5-difluoro-N-(5-hydroxypentyl)-3-nitrobenzamide
CID 107317184
3-amino-2,5-difluoro-N-(2-methylsulfanylethyl)benzamide
CID 107121095
5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide
CID 103919616
5-fluoro-2-hydroxy-N-(4-hydroxybutyl)benzamide
CID 106843460
2,3,4-trifluoro-N-(5-hydroxypentyl)benzamide
CID 108797326
3-amino-2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 107121499
4,5-difluoro-2-(5-hydroxypentylcarbamoyl)benzoic acid
CID 107316553
2-amino-5-chloro-N-(6-hydroxyhexyl)benzamide
CID 114007983
2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 113351832

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-difluoro-N-(6-hydroxyhexyl)benzamide?
The IUPAC name of 3-amino-2,5-difluoro-N-(6-hydroxyhexyl)benzamide (CID 107843161) is 3-amino-2,5-difluoro-N-(6-hydroxyhexyl)benzamide.
What is the SMILES notation for 3-amino-2,5-difluoro-N-(6-hydroxyhexyl)benzamide?
The canonical SMILES for 3-amino-2,5-difluoro-N-(6-hydroxyhexyl)benzamide is Nc1cc(F)cc(C(=O)NCCCCCCO)c1F.
What is the InChIKey of 3-amino-2,5-difluoro-N-(6-hydroxyhexyl)benzamide?
The InChIKey is OVJDUFJKSPTQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c14-9-7-10(12(15)11(16)8-9)13(19)17-5-3-1-2-4-6-18/h7-8,18H,1-6,16H2,(H,17,19).
What are the key properties of 3-amino-2,5-difluoro-N-(6-hydroxyhexyl)benzamide?
3-amino-2,5-difluoro-N-(6-hydroxyhexyl)benzamide has a molecular weight of 272.29 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-difluoro-N-(6-hydroxyhexyl)benzamide is sourced from PubChem (CID 107843161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).