2,3-difluoro-N-hexan-2-ylbenzamide

C13H17F2NO — CID 55099872

IUPAC2,3-difluoro-N-hexan-2-ylbenzamide
SMILESCCCCC(C)NC(=O)c1cccc(F)c1F
InChIInChI=1S/C13H17F2NO/c1-3-4-6-9(2)16-13(17)10-7-5-8-11(14)12(10)15/h5,7-9H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyQVDBRHPXZXJWBZ-UHFFFAOYSA-N
MW241.28 g/mol
LogP3.27
Rot. Bonds5

About 2,3-difluoro-N-hexan-2-ylbenzamide

2,3-difluoro-N-hexan-2-ylbenzamide (PubChem CID 55099872) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 2,3-difluoro-N-hexan-2-ylbenzamide.

Molecular Properties

Compound Name2,3-difluoro-N-hexan-2-ylbenzamide
PubChem CID55099872
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name2,3-difluoro-N-hexan-2-ylbenzamide
SMILESCCCCC(C)NC(=O)c1cccc(F)c1F
InChIInChI=1S/C13H17F2NO/c1-3-4-6-9(2)16-13(17)10-7-5-8-11(14)12(10)15/h5,7-9H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyQVDBRHPXZXJWBZ-UHFFFAOYSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-3-methyl-N-octan-2-ylbenzamide
CID 81480572
N-(1-chloropropan-2-yl)-2,3-difluorobenzamide
CID 114299570
2-(ethylamino)-3-fluoro-N-heptan-2-ylbenzamide
CID 62662293
N-(1-ethylsulfanylpropan-2-yl)-2,3-difluorobenzamide
CID 115662280
2,3-difluoro-N-(3-methylpentan-2-yl)benzamide
CID 62660589
3-fluoro-2-(methylamino)-N-pentan-2-ylbenzamide
CID 55101629
2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide
CID 105381129
2,3-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 62661107
2,3-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103751041
5-[(2-fluorobenzoyl)amino]hexanoic acid
CID 82855274
2,3-difluoro-N-pentylbenzamide
CID 62649821
2,3-difluoro-N-(3-oxobutan-2-yl)benzamide
CID 64996630

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-hexan-2-ylbenzamide?
The IUPAC name of 2,3-difluoro-N-hexan-2-ylbenzamide (CID 55099872) is 2,3-difluoro-N-hexan-2-ylbenzamide.
What is the SMILES notation for 2,3-difluoro-N-hexan-2-ylbenzamide?
The canonical SMILES for 2,3-difluoro-N-hexan-2-ylbenzamide is CCCCC(C)NC(=O)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-hexan-2-ylbenzamide?
The InChIKey is QVDBRHPXZXJWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-3-4-6-9(2)16-13(17)10-7-5-8-11(14)12(10)15/h5,7-9H,3-4,6H2,1-2H3,(H,16,17).
What are the key properties of 2,3-difluoro-N-hexan-2-ylbenzamide?
2,3-difluoro-N-hexan-2-ylbenzamide has a molecular weight of 241.28 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-hexan-2-ylbenzamide is sourced from PubChem (CID 55099872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).