2,3-difluoro-N-(3-methylpentan-2-yl)benzamide

C13H17F2NO — CID 62660589

IUPAC2,3-difluoro-N-(3-methylpentan-2-yl)benzamide
SMILESCCC(C)C(C)NC(=O)c1cccc(F)c1F
InChIInChI=1S/C13H17F2NO/c1-4-8(2)9(3)16-13(17)10-6-5-7-11(14)12(10)15/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyVGNDZOWSXHBBQN-UHFFFAOYSA-N
MW241.28 g/mol
LogP3.13
Rot. Bonds4

About 2,3-difluoro-N-(3-methylpentan-2-yl)benzamide

2,3-difluoro-N-(3-methylpentan-2-yl)benzamide (PubChem CID 62660589) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 2,3-difluoro-N-(3-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-(3-methylpentan-2-yl)benzamide
PubChem CID62660589
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name2,3-difluoro-N-(3-methylpentan-2-yl)benzamide
SMILESCCC(C)C(C)NC(=O)c1cccc(F)c1F
InChIInChI=1S/C13H17F2NO/c1-4-8(2)9(3)16-13(17)10-6-5-7-11(14)12(10)15/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyVGNDZOWSXHBBQN-UHFFFAOYSA-N
XLogP3.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(3-methylpentan-2-yl)benzamide?
The IUPAC name of 2,3-difluoro-N-(3-methylpentan-2-yl)benzamide (CID 62660589) is 2,3-difluoro-N-(3-methylpentan-2-yl)benzamide.
What is the SMILES notation for 2,3-difluoro-N-(3-methylpentan-2-yl)benzamide?
The canonical SMILES for 2,3-difluoro-N-(3-methylpentan-2-yl)benzamide is CCC(C)C(C)NC(=O)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(3-methylpentan-2-yl)benzamide?
The InChIKey is VGNDZOWSXHBBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-4-8(2)9(3)16-13(17)10-6-5-7-11(14)12(10)15/h5-9H,4H2,1-3H3,(H,16,17).
What are the key properties of 2,3-difluoro-N-(3-methylpentan-2-yl)benzamide?
2,3-difluoro-N-(3-methylpentan-2-yl)benzamide has a molecular weight of 241.28 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(3-methylpentan-2-yl)benzamide is sourced from PubChem (CID 62660589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).