[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(4-acetylanilino)-4-oxobutanoate

C20H18Cl2N2O5 — CID 17258736

IUPAC[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(4-acetylanilino)-4-oxobutanoate
SMILESCC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C20H18Cl2N2O5/c1-12(25)13-5-7-14(8-6-13)23-17(26)9-10-19(28)29-11-18(27)24-16-4-2-3-15(21)20(16)22/h2-8H,9-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyXPXTXWNIVQOLCC-UHFFFAOYSA-N
MW437.28 g/mol
LogP4.10
Rot. Bonds8

About [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(4-acetylanilino)-4-oxobutanoate

[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(4-acetylanilino)-4-oxobutanoate (PubChem CID 17258736) has the molecular formula C20H18Cl2N2O5 and a molecular weight of 437.28 g/mol. Its IUPAC name is [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(4-acetylanilino)-4-oxobutanoate.

Molecular Properties

Compound Name[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(4-acetylanilino)-4-oxobutanoate
PubChem CID17258736
Molecular FormulaC20H18Cl2N2O5
Molecular Weight437.28 g/mol
Exact Mass436.06
IUPAC Name[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(4-acetylanilino)-4-oxobutanoate
SMILESCC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C20H18Cl2N2O5/c1-12(25)13-5-7-14(8-6-13)23-17(26)9-10-19(28)29-11-18(27)24-16-4-2-3-15(21)20(16)22/h2-8H,9-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyXPXTXWNIVQOLCC-UHFFFAOYSA-N
XLogP4.10
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.28
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(4-acetylanilino)-4-oxobutanoate with MolForge

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Related Compounds

[2-(4-acetylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate
CID 9067520
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-(2-chloroanilino)-4-oxobutanoate
CID 17257666
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633362
prop-2-ynyl 4-(4-acetylanilino)-4-oxobutanoate
CID 56696055
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7212949
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782625
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate
CID 8015070
[2-(3-acetylanilino)-2-oxoethyl] 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate
CID 17260747
[2-(2-chloroanilino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608586
[2-(2,3-dichloroanilino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate
CID 55701724
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-[4-(4-chlorophenoxy)anilino]-4-oxobutanoate
CID 17257741
[2-(2-methylanilino)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate
CID 9067527

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(4-acetylanilino)-4-oxobutanoate?
The IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(4-acetylanilino)-4-oxobutanoate (CID 17258736) is [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(4-acetylanilino)-4-oxobutanoate.
What is the SMILES notation for [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(4-acetylanilino)-4-oxobutanoate?
The canonical SMILES for [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(4-acetylanilino)-4-oxobutanoate is CC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(4-acetylanilino)-4-oxobutanoate?
The InChIKey is XPXTXWNIVQOLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O5/c1-12(25)13-5-7-14(8-6-13)23-17(26)9-10-19(28)29-11-18(27)24-16-4-2-3-15(21)20(16)22/h2-8H,9-11H2,1H3,(H,23,26)(H,24,27).
What are the key properties of [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(4-acetylanilino)-4-oxobutanoate?
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(4-acetylanilino)-4-oxobutanoate has a molecular weight of 437.28 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(4-acetylanilino)-4-oxobutanoate is sourced from PubChem (CID 17258736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).