1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide

C39H35NO4 — CID 91489702

IUPAC1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)NCCc3ccccc3)cc2)cc1.CC(=O)c1ccc(-c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C23H21NO2.C16H14O2/c1-17(25)19-7-9-20(10-8-19)21-11-13-22(14-12-21)23(26)24-16-15-18-5-3-2-4-6-18;1-11(17)13-3-7-15(8-4-13)16-9-5-14(6-10-16)12(2)18/h2-14H,15-16H2,1H3,(H,24,26);3-10H,1-2H3
InChIKeyXEVJRPRRSAKPRG-UHFFFAOYSA-N
MW581.71 g/mol
LogP8.29
Rot. Bonds9

About 1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide

1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide (PubChem CID 91489702) has the molecular formula C39H35NO4 and a molecular weight of 581.71 g/mol. Its IUPAC name is 1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide
PubChem CID91489702
Molecular FormulaC39H35NO4
Molecular Weight581.71 g/mol
Exact Mass581.26
IUPAC Name1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)NCCc3ccccc3)cc2)cc1.CC(=O)c1ccc(-c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C23H21NO2.C16H14O2/c1-17(25)19-7-9-20(10-8-19)21-11-13-22(14-12-21)23(26)24-16-15-18-5-3-2-4-6-18;1-11(17)13-3-7-15(8-4-13)16-9-5-14(6-10-16)12(2)18/h2-14H,15-16H2,1H3,(H,24,26);3-10H,1-2H3
InChIKeyXEVJRPRRSAKPRG-UHFFFAOYSA-N
XLogP8.29
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.71
LogP ≤ 58.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446
4-iodo-N-(2-phenylethyl)benzamide
CID 1348743
5-N-(4-acetylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106239
4-formyl-N-(2-phenylethyl)benzamide
CID 12773386
N-[2-[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111136020
N-[2-(4-tert-butylphenyl)ethyl]-4-(4-phenylmethoxyphenyl)benzamide
CID 139904878
N-(2-phenylethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 24654315
4-(2-methoxyethoxy)-N-(2-phenylethyl)benzamide
CID 15943281
4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51218673
4-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide
CID 17123750
3-N-(3-acetylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055307

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide?
The IUPAC name of 1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide (CID 91489702) is 1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide is CC(=O)c1ccc(-c2ccc(C(=O)NCCc3ccccc3)cc2)cc1.CC(=O)c1ccc(-c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide?
The InChIKey is XEVJRPRRSAKPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2.C16H14O2/c1-17(25)19-7-9-20(10-8-19)21-11-13-22(14-12-21)23(26)24-16-15-18-5-3-2-4-6-18;1-11(17)13-3-7-15(8-4-13)16-9-5-14(6-10-16)12(2)18/h2-14H,15-16H2,1H3,(H,24,26);3-10H,1-2H3.
What are the key properties of 1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide?
1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide has a molecular weight of 581.71 g/mol, XLogP of 8.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 91489702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).