[2-oxo-2-(4-phenoxyanilino)ethyl] 4-(2-chloroanilino)-4-oxobutanoate

C24H21ClN2O5 — CID 17257666

IUPAC[2-oxo-2-(4-phenoxyanilino)ethyl] 4-(2-chloroanilino)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)Nc1ccccc1Cl)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H21ClN2O5/c25-20-8-4-5-9-21(20)27-22(28)14-15-24(30)31-16-23(29)26-17-10-12-19(13-11-17)32-18-6-2-1-3-7-18/h1-13H,14-16H2,(H,26,29)(H,27,28)
InChIKeyLUPDJQASOAYQLY-UHFFFAOYSA-N
MW452.89 g/mol
LogP5.03
Rot. Bonds9

About [2-oxo-2-(4-phenoxyanilino)ethyl] 4-(2-chloroanilino)-4-oxobutanoate

[2-oxo-2-(4-phenoxyanilino)ethyl] 4-(2-chloroanilino)-4-oxobutanoate (PubChem CID 17257666) has the molecular formula C24H21ClN2O5 and a molecular weight of 452.89 g/mol. Its IUPAC name is [2-oxo-2-(4-phenoxyanilino)ethyl] 4-(2-chloroanilino)-4-oxobutanoate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenoxyanilino)ethyl] 4-(2-chloroanilino)-4-oxobutanoate
PubChem CID17257666
Molecular FormulaC24H21ClN2O5
Molecular Weight452.89 g/mol
Exact Mass452.11
IUPAC Name[2-oxo-2-(4-phenoxyanilino)ethyl] 4-(2-chloroanilino)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)Nc1ccccc1Cl)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H21ClN2O5/c25-20-8-4-5-9-21(20)27-22(28)14-15-24(30)31-16-23(29)26-17-10-12-19(13-11-17)32-18-6-2-1-3-7-18/h1-13H,14-16H2,(H,26,29)(H,27,28)
InChIKeyLUPDJQASOAYQLY-UHFFFAOYSA-N
XLogP5.03
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.89
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(4-phenoxyanilino)ethyl] 4-(2-chloroanilino)-4-oxobutanoate with MolForge

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Related Compounds

[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-[4-(4-chlorophenoxy)anilino]-4-oxobutanoate
CID 17257741
[2-(2,5-dichloroanilino)-2-oxoethyl] 4-[4-(4-tert-butylphenoxy)anilino]-4-oxobutanoate
CID 17258860
[2-(2-methylanilino)-2-oxoethyl] 4-[4-(2,6-dimethylphenoxy)anilino]-4-oxobutanoate
CID 17261912
[2-(3-chloroanilino)-2-oxoethyl] 4-[4-(4-chlorophenoxy)anilino]-4-oxobutanoate
CID 17259148
2-(2-chloroanilino)-N-(4-phenoxyphenyl)acetamide
CID 54810461
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(4-acetylanilino)-4-oxobutanoate
CID 17258736
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-[4-(2-chlorophenoxy)anilino]-4-oxobutanoate
CID 17261729
[2-(5-methoxy-2-nitroanilino)-2-oxoethyl] 4-[4-(2-chlorophenoxy)anilino]-4-oxobutanoate
CID 17260046
[2-(2-chloroanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608586
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate
CID 17259515
[2-(2-methylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate
CID 9067527
[2-(2-chloroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 7856011

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] 4-(2-chloroanilino)-4-oxobutanoate?
The IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] 4-(2-chloroanilino)-4-oxobutanoate (CID 17257666) is [2-oxo-2-(4-phenoxyanilino)ethyl] 4-(2-chloroanilino)-4-oxobutanoate.
What is the SMILES notation for [2-oxo-2-(4-phenoxyanilino)ethyl] 4-(2-chloroanilino)-4-oxobutanoate?
The canonical SMILES for [2-oxo-2-(4-phenoxyanilino)ethyl] 4-(2-chloroanilino)-4-oxobutanoate is O=C(COC(=O)CCC(=O)Nc1ccccc1Cl)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenoxyanilino)ethyl] 4-(2-chloroanilino)-4-oxobutanoate?
The InChIKey is LUPDJQASOAYQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O5/c25-20-8-4-5-9-21(20)27-22(28)14-15-24(30)31-16-23(29)26-17-10-12-19(13-11-17)32-18-6-2-1-3-7-18/h1-13H,14-16H2,(H,26,29)(H,27,28).
What are the key properties of [2-oxo-2-(4-phenoxyanilino)ethyl] 4-(2-chloroanilino)-4-oxobutanoate?
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-(2-chloroanilino)-4-oxobutanoate has a molecular weight of 452.89 g/mol, XLogP of 5.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenoxyanilino)ethyl] 4-(2-chloroanilino)-4-oxobutanoate is sourced from PubChem (CID 17257666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).