N-tert-butyl-3-(3-fluorophenoxy)benzamide

C17H18FNO2 — CID 12941903

IUPACN-tert-butyl-3-(3-fluorophenoxy)benzamide
SMILESCC(C)(C)NC(=O)c1cccc(Oc2cccc(F)c2)c1
InChIInChI=1S/C17H18FNO2/c1-17(2,3)19-16(20)12-6-4-8-14(10-12)21-15-9-5-7-13(18)11-15/h4-11H,1-3H3,(H,19,20)
InChIKeyOSKZJPAADFVELG-UHFFFAOYSA-N
MW287.33 g/mol
LogP4.15
Rot. Bonds3

About N-tert-butyl-3-(3-fluorophenoxy)benzamide

N-tert-butyl-3-(3-fluorophenoxy)benzamide (PubChem CID 12941903) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-tert-butyl-3-(3-fluorophenoxy)benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-(3-fluorophenoxy)benzamide
PubChem CID12941903
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-tert-butyl-3-(3-fluorophenoxy)benzamide
SMILESCC(C)(C)NC(=O)c1cccc(Oc2cccc(F)c2)c1
InChIInChI=1S/C17H18FNO2/c1-17(2,3)19-16(20)12-6-4-8-14(10-12)21-15-9-5-7-13(18)11-15/h4-11H,1-3H3,(H,19,20)
InChIKeyOSKZJPAADFVELG-UHFFFAOYSA-N
XLogP4.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(2-fluorophenyl)-3-methoxybenzamide
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2-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
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3-methoxy-N-(4-phenylbutan-2-yl)benzamide
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N-(1-adamantyl)-3-(difluoromethoxy)benzamide
CID 4030213
3-Ethoxybenzamide
CID 108775
3-((1-Benzylpiperidin-4-yl)oxy)benzamide
CID 52946209
N-hydroxy-3-phenoxybenzamide
CID 10192705
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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(3-fluorophenoxy)benzamide?
The IUPAC name of N-tert-butyl-3-(3-fluorophenoxy)benzamide (CID 12941903) is N-tert-butyl-3-(3-fluorophenoxy)benzamide.
What is the SMILES notation for N-tert-butyl-3-(3-fluorophenoxy)benzamide?
The canonical SMILES for N-tert-butyl-3-(3-fluorophenoxy)benzamide is CC(C)(C)NC(=O)c1cccc(Oc2cccc(F)c2)c1.
What is the InChIKey of N-tert-butyl-3-(3-fluorophenoxy)benzamide?
The InChIKey is OSKZJPAADFVELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-17(2,3)19-16(20)12-6-4-8-14(10-12)21-15-9-5-7-13(18)11-15/h4-11H,1-3H3,(H,19,20).
What are the key properties of N-tert-butyl-3-(3-fluorophenoxy)benzamide?
N-tert-butyl-3-(3-fluorophenoxy)benzamide has a molecular weight of 287.33 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(3-fluorophenoxy)benzamide is sourced from PubChem (CID 12941903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).