2-(4-acetylphenyl)-N-tert-butylbenzamide

C19H21NO2 — CID 122230530

IUPAC2-(4-acetylphenyl)-N-tert-butylbenzamide
SMILESCC(=O)c1ccc(-c2ccccc2C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C19H21NO2/c1-13(21)14-9-11-15(12-10-14)16-7-5-6-8-17(16)18(22)20-19(2,3)4/h5-12H,1-4H3,(H,20,22)
InChIKeyIXCPXMZUNKCFQB-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.08
Rot. Bonds3

About 2-(4-acetylphenyl)-N-tert-butylbenzamide

2-(4-acetylphenyl)-N-tert-butylbenzamide (PubChem CID 122230530) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(4-acetylphenyl)-N-tert-butylbenzamide.

Molecular Properties

Compound Name2-(4-acetylphenyl)-N-tert-butylbenzamide
PubChem CID122230530
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-(4-acetylphenyl)-N-tert-butylbenzamide
SMILESCC(=O)c1ccc(-c2ccccc2C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C19H21NO2/c1-13(21)14-9-11-15(12-10-14)16-7-5-6-8-17(16)18(22)20-19(2,3)4/h5-12H,1-4H3,(H,20,22)
InChIKeyIXCPXMZUNKCFQB-UHFFFAOYSA-N
XLogP4.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(4-methylphenyl)benzamide
CID 19036093
1-[4-(2-acetylphenyl)phenyl]ethanone
CID 11207145
1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone
CID 25259117
N-tert-butyl-4-(2-chlorophenyl)benzamide
CID 174761661
N-tert-butyl-2-[2-(2,2-diphenylethenyl)phenyl]benzamide
CID 175507530
2-(4-methylphenyl)-N-(2-phenylpropan-2-yl)benzamide
CID 101062971
N-tert-butyl-2-hydroxybenzamide
CID 139189948
N-tert-butyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3770450
1-N,2-N,4-N,5-N-tetratert-butylbenzene-1,2,4,5-tetracarboxamide
CID 141420303
1-N,2-N,3-N-tritert-butylbenzene-1,2,3-tricarboxamide
CID 141065547
methyl 2-(tert-butylcarbamoyl)benzoate
CID 108785469
N-tert-butyl-2-methylsulfanylbenzamide
CID 967733

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenyl)-N-tert-butylbenzamide?
The IUPAC name of 2-(4-acetylphenyl)-N-tert-butylbenzamide (CID 122230530) is 2-(4-acetylphenyl)-N-tert-butylbenzamide.
What is the SMILES notation for 2-(4-acetylphenyl)-N-tert-butylbenzamide?
The canonical SMILES for 2-(4-acetylphenyl)-N-tert-butylbenzamide is CC(=O)c1ccc(-c2ccccc2C(=O)NC(C)(C)C)cc1.
What is the InChIKey of 2-(4-acetylphenyl)-N-tert-butylbenzamide?
The InChIKey is IXCPXMZUNKCFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-13(21)14-9-11-15(12-10-14)16-7-5-6-8-17(16)18(22)20-19(2,3)4/h5-12H,1-4H3,(H,20,22).
What are the key properties of 2-(4-acetylphenyl)-N-tert-butylbenzamide?
2-(4-acetylphenyl)-N-tert-butylbenzamide has a molecular weight of 295.38 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenyl)-N-tert-butylbenzamide is sourced from PubChem (CID 122230530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).