4-fluoro-2-hydroxy-N,N-di(propan-2-yl)benzamide

C13H18FNO2 — CID 66552038

IUPAC4-fluoro-2-hydroxy-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(F)cc1O)C(C)C
InChIInChI=1S/C13H18FNO2/c1-8(2)15(9(3)4)13(17)11-6-5-10(14)7-12(11)16/h5-9,16H,1-4H3
InChIKeyACXVRSPUDSGCLC-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.79
Rot. Bonds3

About 4-fluoro-2-hydroxy-N,N-di(propan-2-yl)benzamide

4-fluoro-2-hydroxy-N,N-di(propan-2-yl)benzamide (PubChem CID 66552038) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-N,N-di(propan-2-yl)benzamide
PubChem CID66552038
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name4-fluoro-2-hydroxy-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(F)cc1O)C(C)C
InChIInChI=1S/C13H18FNO2/c1-8(2)15(9(3)4)13(17)11-6-5-10(14)7-12(11)16/h5-9,16H,1-4H3
InChIKeyACXVRSPUDSGCLC-UHFFFAOYSA-N
XLogP2.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10253
Salacetamide
CID 10252
Edasalonexent
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N,N'-1,2-Ethanediylbis(2-hydroxybenzamide)
CID 95934
Benzamide, N,N'-1,6-hexanediylbis(2-hydroxy-
CID 209651
Salicylic acid ethanolamide
CID 90407
2-Hydroxy-N,N-dimethylbenzamide
CID 74500
N-Methylsalicylamide
CID 74624
Methylol salicylamide
CID 95698
N,N'-1,3-Propanediylbis(2-hydroxybenzamide)
CID 212503
4-Salicyloylmorpholine
CID 229478
N-Benzyl-2-hydroxybenzamide
CID 561227

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 4-fluoro-2-hydroxy-N,N-di(propan-2-yl)benzamide (CID 66552038) is 4-fluoro-2-hydroxy-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-2-hydroxy-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 4-fluoro-2-hydroxy-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1ccc(F)cc1O)C(C)C.
What is the InChIKey of 4-fluoro-2-hydroxy-N,N-di(propan-2-yl)benzamide?
The InChIKey is ACXVRSPUDSGCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-8(2)15(9(3)4)13(17)11-6-5-10(14)7-12(11)16/h5-9,16H,1-4H3.
What are the key properties of 4-fluoro-2-hydroxy-N,N-di(propan-2-yl)benzamide?
4-fluoro-2-hydroxy-N,N-di(propan-2-yl)benzamide has a molecular weight of 239.29 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxy-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 66552038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).