[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate

C23H18ClNO5 — CID 2335269

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H18ClNO5/c1-29-18-12-10-17(11-13-18)25-21(26)14-30-23(28)20-5-3-2-4-19(20)22(27)15-6-8-16(24)9-7-15/h2-13H,14H2,1H3,(H,25,26)
InChIKeyAVQYEBWYWJCXLJ-UHFFFAOYSA-N
MW423.85 g/mol
LogP4.38
Rot. Bonds7

About [2-(4-methoxyanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate

[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate (PubChem CID 2335269) has the molecular formula C23H18ClNO5 and a molecular weight of 423.85 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
PubChem CID2335269
Molecular FormulaC23H18ClNO5
Molecular Weight423.85 g/mol
Exact Mass423.09
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
SMILESCOc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H18ClNO5/c1-29-18-12-10-17(11-13-18)25-21(26)14-30-23(28)20-5-3-2-4-19(20)22(27)15-6-8-16(24)9-7-15/h2-13H,14H2,1H3,(H,25,26)
InChIKeyAVQYEBWYWJCXLJ-UHFFFAOYSA-N
XLogP4.38
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.85
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-O-[2-(4-methoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505239
[2-(4-acetamidoanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2621873
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605601
[2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2334495
[2-(4-methoxyanilino)-2-oxoethyl] 2-methylsulfanylbenzoate
CID 2540210
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2371288
[2-(4-iodoanilino)-2-oxoethyl] 2-benzoylbenzoate
CID 2335613
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 2630625
[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 23791370
[2-(4-methoxyanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate
CID 8701813
[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 16618617
[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 41161348

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate (CID 2335269) is [2-(4-methoxyanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate is COc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate?
The InChIKey is AVQYEBWYWJCXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO5/c1-29-18-12-10-17(11-13-18)25-21(26)14-30-23(28)20-5-3-2-4-19(20)22(27)15-6-8-16(24)9-7-15/h2-13H,14H2,1H3,(H,25,26).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate?
[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate has a molecular weight of 423.85 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate is sourced from PubChem (CID 2335269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).