[2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate

C23H19NO4 — CID 7695978

IUPAC[2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19NO4/c1-16-11-13-18(14-12-16)23(27)28-15-21(25)24-20-10-6-5-9-19(20)22(26)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,24,25)
InChIKeyIXFQWBAQRSUMCY-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.02
Rot. Bonds6

About [2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate

[2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate (PubChem CID 7695978) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is [2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate.

Molecular Properties

Compound Name[2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate
PubChem CID7695978
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name[2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H19NO4/c1-16-11-13-18(14-12-16)23(27)28-15-21(25)24-20-10-6-5-9-19(20)22(26)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,24,25)
InChIKeyIXFQWBAQRSUMCY-UHFFFAOYSA-N
XLogP4.02
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-benzoylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 4989481
ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632
[2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605484
[2-(2-benzoylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7210429
[2-(2-methylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2353601
[2-(2-benzoylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 7766787
[2-(2-benzoylanilino)-2-oxoethyl] 2-aminobenzoate
CID 5155011
[2-(2-benzoylanilino)-2-oxoethyl] 2-bromobenzoate
CID 4664729
[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl] 4-methylbenzoate
CID 9018254
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylbenzoate
CID 2506262
[2-(2-benzoylanilino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 42969978
ethyl 4-[(2-benzoylphenyl)carbamoylamino]benzoate
CID 46859858

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate?
The IUPAC name of [2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate (CID 7695978) is [2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate.
What is the SMILES notation for [2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate?
The canonical SMILES for [2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate is Cc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1.
What is the InChIKey of [2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate?
The InChIKey is IXFQWBAQRSUMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c1-16-11-13-18(14-12-16)23(27)28-15-21(25)24-20-10-6-5-9-19(20)22(26)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,24,25).
What are the key properties of [2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate?
[2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate has a molecular weight of 373.41 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate is sourced from PubChem (CID 7695978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).