2-(2-benzoylanilino)-1-(4-methylphenyl)ethanone

C22H19NO2 — CID 110825945

IUPAC2-(2-benzoylanilino)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CNc2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H19NO2/c1-16-11-13-17(14-12-16)21(24)15-23-20-10-6-5-9-19(20)22(25)18-7-3-2-4-8-18/h2-14,23H,15H2,1H3
InChIKeyQTYQJCVOCUNZOY-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.52
Rot. Bonds6

About 2-(2-benzoylanilino)-1-(4-methylphenyl)ethanone

2-(2-benzoylanilino)-1-(4-methylphenyl)ethanone (PubChem CID 110825945) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(2-benzoylanilino)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-benzoylanilino)-1-(4-methylphenyl)ethanone
PubChem CID110825945
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name2-(2-benzoylanilino)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CNc2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H19NO2/c1-16-11-13-17(14-12-16)21(24)15-23-20-10-6-5-9-19(20)22(25)18-7-3-2-4-8-18/h2-14,23H,15H2,1H3
InChIKeyQTYQJCVOCUNZOY-UHFFFAOYSA-N
XLogP4.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

2-(2-benzoylanilino)-1-(4-bromophenyl)ethanone
CID 110825563
[2-(ethylamino)phenyl]-phenylmethanone
CID 3661027
2-(4-methylanilino)-1-phenylethanone
CID 4230722
[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-(4-methylphenyl)methanone
CID 168640456
[2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate
CID 7695978
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
[2-(but-2-enylamino)phenyl]-phenylmethanone
CID 163414634
2-(2-benzoylanilino)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone
CID 110828740
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588
2-benzoyl-5-(4-methylbenzoyl)terephthalic acid
CID 23586512
2-[[2-(2-benzoylanilino)-2-oxoethyl]amino]-N-methylacetamide
CID 8771914
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoylanilino)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(2-benzoylanilino)-1-(4-methylphenyl)ethanone (CID 110825945) is 2-(2-benzoylanilino)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(2-benzoylanilino)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(2-benzoylanilino)-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)CNc2ccccc2C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(2-benzoylanilino)-1-(4-methylphenyl)ethanone?
The InChIKey is QTYQJCVOCUNZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-16-11-13-17(14-12-16)21(24)15-23-20-10-6-5-9-19(20)22(25)18-7-3-2-4-8-18/h2-14,23H,15H2,1H3.
What are the key properties of 2-(2-benzoylanilino)-1-(4-methylphenyl)ethanone?
2-(2-benzoylanilino)-1-(4-methylphenyl)ethanone has a molecular weight of 329.40 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoylanilino)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 110825945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).