2,6-difluoro-N-(3-hydroxypentyl)benzamide

C12H15F2NO2 — CID 115703804

IUPAC2,6-difluoro-N-(3-hydroxypentyl)benzamide
SMILESCCC(O)CCNC(=O)c1c(F)cccc1F
InChIInChI=1S/C12H15F2NO2/c1-2-8(16)6-7-15-12(17)11-9(13)4-3-5-10(11)14/h3-5,8,16H,2,6-7H2,1H3,(H,15,17)
InChIKeyMIFYRZREQMFZQF-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.86
Rot. Bonds5

About 2,6-difluoro-N-(3-hydroxypentyl)benzamide

2,6-difluoro-N-(3-hydroxypentyl)benzamide (PubChem CID 115703804) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 2,6-difluoro-N-(3-hydroxypentyl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(3-hydroxypentyl)benzamide
PubChem CID115703804
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name2,6-difluoro-N-(3-hydroxypentyl)benzamide
SMILESCCC(O)CCNC(=O)c1c(F)cccc1F
InChIInChI=1S/C12H15F2NO2/c1-2-8(16)6-7-15-12(17)11-9(13)4-3-5-10(11)14/h3-5,8,16H,2,6-7H2,1H3,(H,15,17)
InChIKeyMIFYRZREQMFZQF-UHFFFAOYSA-N
XLogP1.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-(3-hydroxy-4,4-dimethylpentyl)benzamide
CID 71690349
3-hydroxy-N-(3-hydroxypentyl)-2-methylbenzamide
CID 113342931
2-fluoro-N-(3-hydroxypentyl)-3-(trifluoromethyl)benzamide
CID 115703490
N-(3-hydroxypentyl)-1H-pyrrole-2-carboxamide
CID 115703464
N-(4-bromopentyl)-2,6-difluorobenzamide
CID 106130576
N-(3-bromo-4-methoxybutyl)-2,6-difluorobenzamide
CID 106244803
6-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide
CID 103917004
N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 17249262
4-N-(3-hydroxypentyl)benzene-1,4-dicarboxamide
CID 115703395
3-bromo-5-fluoro-N-(3-hydroxypentyl)benzamide
CID 113259409
2,6-difluoro-N-(3-hydroxypropyl)benzamide
CID 5203738
N-(2-aminopropyl)-2,6-difluorobenzamide
CID 63732942

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(3-hydroxypentyl)benzamide?
The IUPAC name of 2,6-difluoro-N-(3-hydroxypentyl)benzamide (CID 115703804) is 2,6-difluoro-N-(3-hydroxypentyl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(3-hydroxypentyl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(3-hydroxypentyl)benzamide is CCC(O)CCNC(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(3-hydroxypentyl)benzamide?
The InChIKey is MIFYRZREQMFZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-2-8(16)6-7-15-12(17)11-9(13)4-3-5-10(11)14/h3-5,8,16H,2,6-7H2,1H3,(H,15,17).
What are the key properties of 2,6-difluoro-N-(3-hydroxypentyl)benzamide?
2,6-difluoro-N-(3-hydroxypentyl)benzamide has a molecular weight of 243.25 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(3-hydroxypentyl)benzamide is sourced from PubChem (CID 115703804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).