3-tert-butyl-4-phenylbenzamide

C17H19NO — CID 18779086

IUPAC3-tert-butyl-4-phenylbenzamide
SMILESCC(C)(C)c1cc(C(N)=O)ccc1-c1ccccc1
InChIInChI=1S/C17H19NO/c1-17(2,3)15-11-13(16(18)19)9-10-14(15)12-7-5-4-6-8-12/h4-11H,1-3H3,(H2,18,19)
InChIKeyHIGDKNARIYJNFM-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.75
Rot. Bonds2

About 3-tert-butyl-4-phenylbenzamide

3-tert-butyl-4-phenylbenzamide (PubChem CID 18779086) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-tert-butyl-4-phenylbenzamide.

Molecular Properties

Compound Name3-tert-butyl-4-phenylbenzamide
PubChem CID18779086
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name3-tert-butyl-4-phenylbenzamide
SMILESCC(C)(C)c1cc(C(N)=O)ccc1-c1ccccc1
InChIInChI=1S/C17H19NO/c1-17(2,3)15-11-13(16(18)19)9-10-14(15)12-7-5-4-6-8-12/h4-11H,1-3H3,(H2,18,19)
InChIKeyHIGDKNARIYJNFM-UHFFFAOYSA-N
XLogP3.75
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-phenylbenzamide?
The IUPAC name of 3-tert-butyl-4-phenylbenzamide (CID 18779086) is 3-tert-butyl-4-phenylbenzamide.
What is the SMILES notation for 3-tert-butyl-4-phenylbenzamide?
The canonical SMILES for 3-tert-butyl-4-phenylbenzamide is CC(C)(C)c1cc(C(N)=O)ccc1-c1ccccc1.
What is the InChIKey of 3-tert-butyl-4-phenylbenzamide?
The InChIKey is HIGDKNARIYJNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-17(2,3)15-11-13(16(18)19)9-10-14(15)12-7-5-4-6-8-12/h4-11H,1-3H3,(H2,18,19).
What are the key properties of 3-tert-butyl-4-phenylbenzamide?
3-tert-butyl-4-phenylbenzamide has a molecular weight of 253.34 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-phenylbenzamide is sourced from PubChem (CID 18779086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).