N-(3-acetylphenyl)-4-tert-butylbenzamide

C19H21NO2 — CID 722882

IUPACN-(3-acetylphenyl)-4-tert-butylbenzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C19H21NO2/c1-13(21)15-6-5-7-17(12-15)20-18(22)14-8-10-16(11-9-14)19(2,3)4/h5-12H,1-4H3,(H,20,22)
InChIKeyYVRSOYOPLSUWNX-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.44
Rot. Bonds3

About N-(3-acetylphenyl)-4-tert-butylbenzamide

N-(3-acetylphenyl)-4-tert-butylbenzamide (PubChem CID 722882) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-tert-butylbenzamide
PubChem CID722882
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-(3-acetylphenyl)-4-tert-butylbenzamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C19H21NO2/c1-13(21)15-6-5-7-17(12-15)20-18(22)14-8-10-16(11-9-14)19(2,3)4/h5-12H,1-4H3,(H,20,22)
InChIKeyYVRSOYOPLSUWNX-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
N-(3-acetylphenyl)-4-(trifluoromethyl)benzamide
CID 7770720
4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267
N-[6-(3-acetylanilino)pyridazin-3-yl]-4-tert-butylbenzamide
CID 113049064
N-[3-(4-tert-butylbenzoyl)phenyl]-4-fluorobenzamide
CID 19062960
N-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide
CID 3100149
ethyl 3-[(4-tert-butylbenzoyl)amino]benzoate
CID 883989
3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
CID 26110808
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
N-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide
CID 17171661
3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide
CID 26166664
4-tert-butyl-N-(3-ethynylphenyl)benzamide
CID 60712469

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-tert-butylbenzamide?
The IUPAC name of N-(3-acetylphenyl)-4-tert-butylbenzamide (CID 722882) is N-(3-acetylphenyl)-4-tert-butylbenzamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-tert-butylbenzamide?
The canonical SMILES for N-(3-acetylphenyl)-4-tert-butylbenzamide is CC(=O)c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-tert-butylbenzamide?
The InChIKey is YVRSOYOPLSUWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-13(21)15-6-5-7-17(12-15)20-18(22)14-8-10-16(11-9-14)19(2,3)4/h5-12H,1-4H3,(H,20,22).
What are the key properties of N-(3-acetylphenyl)-4-tert-butylbenzamide?
N-(3-acetylphenyl)-4-tert-butylbenzamide has a molecular weight of 295.38 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-tert-butylbenzamide is sourced from PubChem (CID 722882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).