2,3-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide

C13H17F2NO2 — CID 103751041

IUPAC2,3-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
SMILESCC(C)C(CCO)NC(=O)c1cccc(F)c1F
InChIInChI=1S/C13H17F2NO2/c1-8(2)11(6-7-17)16-13(18)9-4-3-5-10(14)12(9)15/h3-5,8,11,17H,6-7H2,1-2H3,(H,16,18)
InChIKeyGYUVCCUHDRHSEC-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.10
Rot. Bonds5

About 2,3-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide

2,3-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide (PubChem CID 103751041) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 2,3-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
PubChem CID103751041
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name2,3-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
SMILESCC(C)C(CCO)NC(=O)c1cccc(F)c1F
InChIInChI=1S/C13H17F2NO2/c1-8(2)11(6-7-17)16-13(18)9-4-3-5-10(14)12(9)15/h3-5,8,11,17H,6-7H2,1-2H3,(H,16,18)
InChIKeyGYUVCCUHDRHSEC-UHFFFAOYSA-N
XLogP2.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79249315
2-chloro-6-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254965
3-bromo-N-(1-bromo-4-methylpentan-3-yl)-2-fluorobenzamide
CID 106355254
3-chloro-N-(1-chloro-4-methylpentan-3-yl)-2-fluorobenzamide
CID 106354949
2,3-difluoro-N-hexan-2-ylbenzamide
CID 55099872
2-chloro-3-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 81461590
N-(1-bromo-4-methylpentan-3-yl)-2-chloro-3-fluorobenzamide
CID 114177751
5-fluoro-2-hydroxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103852374
N-(1-chloropropan-2-yl)-2,3-difluorobenzamide
CID 114299570
3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254979
2,3-difluoro-N-(3-oxobutan-2-yl)benzamide
CID 64996630
2-chloro-4-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103750829

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
The IUPAC name of 2,3-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide (CID 103751041) is 2,3-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide.
What is the SMILES notation for 2,3-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
The canonical SMILES for 2,3-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide is CC(C)C(CCO)NC(=O)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
The InChIKey is GYUVCCUHDRHSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-8(2)11(6-7-17)16-13(18)9-4-3-5-10(14)12(9)15/h3-5,8,11,17H,6-7H2,1-2H3,(H,16,18).
What are the key properties of 2,3-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide?
2,3-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide has a molecular weight of 257.28 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide is sourced from PubChem (CID 103751041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).