4-tert-butyl-N-(2-fluorophenyl)benzamide

C17H18FNO — CID 773723

IUPAC4-tert-butyl-N-(2-fluorophenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C17H18FNO/c1-17(2,3)13-10-8-12(9-11-13)16(20)19-15-7-5-4-6-14(15)18/h4-11H,1-3H3,(H,19,20)
InChIKeyYRZSURUFPRQDNT-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.38
Rot. Bonds2

About 4-tert-butyl-N-(2-fluorophenyl)benzamide

4-tert-butyl-N-(2-fluorophenyl)benzamide (PubChem CID 773723) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-fluorophenyl)benzamide
PubChem CID773723
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC Name4-tert-butyl-N-(2-fluorophenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C17H18FNO/c1-17(2,3)13-10-8-12(9-11-13)16(20)19-15-7-5-4-6-14(15)18/h4-11H,1-3H3,(H,19,20)
InChIKeyYRZSURUFPRQDNT-UHFFFAOYSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-fluorophenyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2-fluorophenyl)benzamide (CID 773723) is 4-tert-butyl-N-(2-fluorophenyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-fluorophenyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-fluorophenyl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-fluorophenyl)benzamide?
The InChIKey is YRZSURUFPRQDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-17(2,3)13-10-8-12(9-11-13)16(20)19-15-7-5-4-6-14(15)18/h4-11H,1-3H3,(H,19,20).
What are the key properties of 4-tert-butyl-N-(2-fluorophenyl)benzamide?
4-tert-butyl-N-(2-fluorophenyl)benzamide has a molecular weight of 271.33 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-fluorophenyl)benzamide is sourced from PubChem (CID 773723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).