N-(3-tert-butyl-2,6-dihydroxyphenyl)-3-fluorobenzamide

C17H18FNO3 — CID 139923803

IUPACN-(3-tert-butyl-2,6-dihydroxyphenyl)-3-fluorobenzamide
SMILESCC(C)(C)c1ccc(O)c(NC(=O)c2cccc(F)c2)c1O
InChIInChI=1S/C17H18FNO3/c1-17(2,3)12-7-8-13(20)14(15(12)21)19-16(22)10-5-4-6-11(18)9-10/h4-9,20-21H,1-3H3,(H,19,22)
InChIKeyOQFYHITWLRVLTF-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.79
Rot. Bonds2

About N-(3-tert-butyl-2,6-dihydroxyphenyl)-3-fluorobenzamide

N-(3-tert-butyl-2,6-dihydroxyphenyl)-3-fluorobenzamide (PubChem CID 139923803) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is N-(3-tert-butyl-2,6-dihydroxyphenyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(3-tert-butyl-2,6-dihydroxyphenyl)-3-fluorobenzamide
PubChem CID139923803
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC NameN-(3-tert-butyl-2,6-dihydroxyphenyl)-3-fluorobenzamide
SMILESCC(C)(C)c1ccc(O)c(NC(=O)c2cccc(F)c2)c1O
InChIInChI=1S/C17H18FNO3/c1-17(2,3)12-7-8-13(20)14(15(12)21)19-16(22)10-5-4-6-11(18)9-10/h4-9,20-21H,1-3H3,(H,19,22)
InChIKeyOQFYHITWLRVLTF-UHFFFAOYSA-N
XLogP3.79
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-ditert-butyl-2,6-dihydroxyphenyl)benzamide;N-(2,6-dihydroxyphenyl)benzamide
CID 158026912
3-fluoro-N-(2-hydroxyphenyl)benzamide
CID 45029698
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide
CID 894729
3-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 837703
N-(3-tert-butyl-2,6-dihydroxyphenyl)-2-phenylacetamide
CID 139923830
3-fluoro-N-(2-hydroxy-4-methylphenyl)benzamide
CID 2112106
N-(3,5-dichloro-4-hydroxyphenyl)-3-fluorobenzamide
CID 82885015
3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496
N-(2-acetamidophenyl)-3-fluorobenzamide
CID 877390
N-(4-amino-2,6-dichlorophenyl)-3-fluorobenzamide
CID 16776319
3-fluoro-N-hydroxybenzamide
CID 5082377
3-N-(5-fluoro-2-hydroxyphenyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 71863070

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-2,6-dihydroxyphenyl)-3-fluorobenzamide?
The IUPAC name of N-(3-tert-butyl-2,6-dihydroxyphenyl)-3-fluorobenzamide (CID 139923803) is N-(3-tert-butyl-2,6-dihydroxyphenyl)-3-fluorobenzamide.
What is the SMILES notation for N-(3-tert-butyl-2,6-dihydroxyphenyl)-3-fluorobenzamide?
The canonical SMILES for N-(3-tert-butyl-2,6-dihydroxyphenyl)-3-fluorobenzamide is CC(C)(C)c1ccc(O)c(NC(=O)c2cccc(F)c2)c1O.
What is the InChIKey of N-(3-tert-butyl-2,6-dihydroxyphenyl)-3-fluorobenzamide?
The InChIKey is OQFYHITWLRVLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-17(2,3)12-7-8-13(20)14(15(12)21)19-16(22)10-5-4-6-11(18)9-10/h4-9,20-21H,1-3H3,(H,19,22).
What are the key properties of N-(3-tert-butyl-2,6-dihydroxyphenyl)-3-fluorobenzamide?
N-(3-tert-butyl-2,6-dihydroxyphenyl)-3-fluorobenzamide has a molecular weight of 303.33 g/mol, XLogP of 3.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-2,6-dihydroxyphenyl)-3-fluorobenzamide is sourced from PubChem (CID 139923803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).