2,6-difluoro-N-(6-methylheptan-2-yl)benzamide

C15H21F2NO — CID 78789460

IUPAC2,6-difluoro-N-(6-methylheptan-2-yl)benzamide
SMILESCC(C)CCCC(C)NC(=O)c1c(F)cccc1F
InChIInChI=1S/C15H21F2NO/c1-10(2)6-4-7-11(3)18-15(19)14-12(16)8-5-9-13(14)17/h5,8-11H,4,6-7H2,1-3H3,(H,18,19)
InChIKeyFBAOFGHHBNQVRG-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.91
Rot. Bonds6

About 2,6-difluoro-N-(6-methylheptan-2-yl)benzamide

2,6-difluoro-N-(6-methylheptan-2-yl)benzamide (PubChem CID 78789460) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 2,6-difluoro-N-(6-methylheptan-2-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(6-methylheptan-2-yl)benzamide
PubChem CID78789460
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name2,6-difluoro-N-(6-methylheptan-2-yl)benzamide
SMILESCC(C)CCCC(C)NC(=O)c1c(F)cccc1F
InChIInChI=1S/C15H21F2NO/c1-10(2)6-4-7-11(3)18-15(19)14-12(16)8-5-9-13(14)17/h5,8-11H,4,6-7H2,1-3H3,(H,18,19)
InChIKeyFBAOFGHHBNQVRG-UHFFFAOYSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5-chloropentan-2-yl)-2,6-difluorobenzamide
CID 114305791
5-[(2,6-difluorobenzoyl)amino]hexanoic acid
CID 82854153
4-methylpentyl 2-[(2,6-difluorobenzoyl)amino]propanoate
CID 6423118
2,6-difluoro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 2566393
2-chloro-6-fluoro-N-heptan-2-ylbenzamide
CID 78789535
3-bromo-2-fluoro-N-(6-methylheptan-2-yl)benzamide
CID 107951723
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,6-difluorobenzamide
CID 62094599
N-(1-bromopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107016869
2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61247337
N-(1-aminopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107015862
2,3-difluoro-N-hexan-2-ylbenzamide
CID 55099872
2,6-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79253084

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(6-methylheptan-2-yl)benzamide?
The IUPAC name of 2,6-difluoro-N-(6-methylheptan-2-yl)benzamide (CID 78789460) is 2,6-difluoro-N-(6-methylheptan-2-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(6-methylheptan-2-yl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(6-methylheptan-2-yl)benzamide is CC(C)CCCC(C)NC(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(6-methylheptan-2-yl)benzamide?
The InChIKey is FBAOFGHHBNQVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-10(2)6-4-7-11(3)18-15(19)14-12(16)8-5-9-13(14)17/h5,8-11H,4,6-7H2,1-3H3,(H,18,19).
What are the key properties of 2,6-difluoro-N-(6-methylheptan-2-yl)benzamide?
2,6-difluoro-N-(6-methylheptan-2-yl)benzamide has a molecular weight of 269.33 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(6-methylheptan-2-yl)benzamide is sourced from PubChem (CID 78789460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).