2-fluoro-4-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide

C14H20FNO3 — CID 106353165

IUPAC2-fluoro-4-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
SMILESCC(C)(C)C(CCO)NC(=O)c1ccc(O)cc1F
InChIInChI=1S/C14H20FNO3/c1-14(2,3)12(6-7-17)16-13(19)10-5-4-9(18)8-11(10)15/h4-5,8,12,17-18H,6-7H2,1-3H3,(H,16,19)
InChIKeyZRAPWULUFVJZMK-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.06
Rot. Bonds4

About 2-fluoro-4-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide

2-fluoro-4-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide (PubChem CID 106353165) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
PubChem CID106353165
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name2-fluoro-4-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
SMILESCC(C)(C)C(CCO)NC(=O)c1ccc(O)cc1F
InChIInChI=1S/C14H20FNO3/c1-14(2,3)12(6-7-17)16-13(19)10-5-4-9(18)8-11(10)15/h4-5,8,12,17-18H,6-7H2,1-3H3,(H,16,19)
InChIKeyZRAPWULUFVJZMK-UHFFFAOYSA-N
XLogP2.06
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dihydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106353093
5-chloro-2-fluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941089
2-fluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-sulfanylbenzamide
CID 106357978
2-fluoro-4-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
CID 103941390
2,4-diamino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347919
2-[(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid
CID 107674650
4-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941003
N-(1-amino-3,3-dimethylbutan-2-yl)-2-fluoro-4-methylbenzamide
CID 114208039
5-fluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-nitrobenzamide
CID 106349369
2-fluoro-4-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 104929818
N-[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]-2-iodobenzamide
CID 97339820
3-[(4-amino-2-fluorobenzoyl)amino]-4,4-dimethylpentanoic acid
CID 107794801

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
The IUPAC name of 2-fluoro-4-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide (CID 106353165) is 2-fluoro-4-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide.
What is the SMILES notation for 2-fluoro-4-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
The canonical SMILES for 2-fluoro-4-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide is CC(C)(C)C(CCO)NC(=O)c1ccc(O)cc1F.
What is the InChIKey of 2-fluoro-4-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
The InChIKey is ZRAPWULUFVJZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-14(2,3)12(6-7-17)16-13(19)10-5-4-9(18)8-11(10)15/h4-5,8,12,17-18H,6-7H2,1-3H3,(H,16,19).
What are the key properties of 2-fluoro-4-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide?
2-fluoro-4-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide has a molecular weight of 269.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide is sourced from PubChem (CID 106353165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).