2,4-difluoro-5-hydroxy-N-propan-2-ylbenzamide

C10H11F2NO2 — CID 139030542

IUPAC2,4-difluoro-5-hydroxy-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(O)c(F)cc1F
InChIInChI=1S/C10H11F2NO2/c1-5(2)13-10(15)6-3-9(14)8(12)4-7(6)11/h3-5,14H,1-2H3,(H,13,15)
InChIKeyUFMJTRFNKIWCPH-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.81
Rot. Bonds2

About 2,4-difluoro-5-hydroxy-N-propan-2-ylbenzamide

2,4-difluoro-5-hydroxy-N-propan-2-ylbenzamide (PubChem CID 139030542) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 2,4-difluoro-5-hydroxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2,4-difluoro-5-hydroxy-N-propan-2-ylbenzamide
PubChem CID139030542
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name2,4-difluoro-5-hydroxy-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cc(O)c(F)cc1F
InChIInChI=1S/C10H11F2NO2/c1-5(2)13-10(15)6-3-9(14)8(12)4-7(6)11/h3-5,14H,1-2H3,(H,13,15)
InChIKeyUFMJTRFNKIWCPH-UHFFFAOYSA-N
XLogP1.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-5-hydroxy-N-[(2S)-1-[[4-(2-hydroxypropan-2-yloxy)-3,3-dimethylbutanoyl]amino]propan-2-yl]benzamide
CID 154967005
2-bromo-5-fluoro-N-propan-2-ylpyridine-4-carboxamide
CID 155818610
5-(2,4-dihydroxy-5-propan-2-ylphenyl)-2-fluoro-N-propan-2-ylbenzamide
CID 71012431
5-cyano-2-fluoro-N-propan-2-ylbenzamide
CID 83405153
2,5-difluoro-4-(3-hydroxyazetidin-1-yl)-N-propan-2-ylbenzamide
CID 163765559
2-bromo-4-fluoro-N-propan-2-yl-5-sulfamoylbenzamide
CID 65375937
3,4,5-trifluoro-N-propan-2-ylbenzamide
CID 63187718
2-amino-3-fluoro-N-propan-2-ylbenzamide
CID 62648902
4-(18F)fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 172512860
2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide
CID 4806698
methyl 2-bromo-4-fluoro-5-hydroxybenzoate
CID 66545209
2-fluoro-3-methyl-N-propan-2-yl-5-sulfamoylbenzamide
CID 81478779

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-hydroxy-N-propan-2-ylbenzamide?
The IUPAC name of 2,4-difluoro-5-hydroxy-N-propan-2-ylbenzamide (CID 139030542) is 2,4-difluoro-5-hydroxy-N-propan-2-ylbenzamide.
What is the SMILES notation for 2,4-difluoro-5-hydroxy-N-propan-2-ylbenzamide?
The canonical SMILES for 2,4-difluoro-5-hydroxy-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cc(O)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-hydroxy-N-propan-2-ylbenzamide?
The InChIKey is UFMJTRFNKIWCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-5(2)13-10(15)6-3-9(14)8(12)4-7(6)11/h3-5,14H,1-2H3,(H,13,15).
What are the key properties of 2,4-difluoro-5-hydroxy-N-propan-2-ylbenzamide?
2,4-difluoro-5-hydroxy-N-propan-2-ylbenzamide has a molecular weight of 215.20 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-hydroxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 139030542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).