4-[4-[2-(4-chlorophenyl)-2-oxoethoxy]carbonylanilino]-4-oxobutanoate

C19H15ClNO6- — CID 6974741

IUPAC4-[4-[2-(4-chlorophenyl)-2-oxoethoxy]carbonylanilino]-4-oxobutanoate
SMILESO=C([O-])CCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H16ClNO6/c20-14-5-1-12(2-6-14)16(22)11-27-19(26)13-3-7-15(8-4-13)21-17(23)9-10-18(24)25/h1-8H,9-11H2,(H,21,23)(H,24,25)/p-1
InChIKeyZERWOUNRNBZMSG-UHFFFAOYSA-M
MW388.78 g/mol
LogP1.85
Rot. Bonds8

About 4-[4-[2-(4-chlorophenyl)-2-oxoethoxy]carbonylanilino]-4-oxobutanoate

4-[4-[2-(4-chlorophenyl)-2-oxoethoxy]carbonylanilino]-4-oxobutanoate (PubChem CID 6974741) has the molecular formula C19H15ClNO6- and a molecular weight of 388.78 g/mol. Its IUPAC name is 4-[4-[2-(4-chlorophenyl)-2-oxoethoxy]carbonylanilino]-4-oxobutanoate.

Molecular Properties

Compound Name4-[4-[2-(4-chlorophenyl)-2-oxoethoxy]carbonylanilino]-4-oxobutanoate
PubChem CID6974741
Molecular FormulaC19H15ClNO6-
Molecular Weight388.78 g/mol
Exact Mass388.06
IUPAC Name4-[4-[2-(4-chlorophenyl)-2-oxoethoxy]carbonylanilino]-4-oxobutanoate
SMILESO=C([O-])CCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H16ClNO6/c20-14-5-1-12(2-6-14)16(22)11-27-19(26)13-3-7-15(8-4-13)21-17(23)9-10-18(24)25/h1-8H,9-11H2,(H,21,23)(H,24,25)/p-1
InChIKeyZERWOUNRNBZMSG-UHFFFAOYSA-M
XLogP1.85
TPSA112.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.78
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 4-chlorobenzoate
CID 7797215
butyl 4-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
CID 2883144
butyl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 108808160
[2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 724983
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-iodobenzoate
CID 46805683
propan-2-yl 4-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 26716884
4-(3-carboxylatopropanoylamino)benzoate
CID 4170871
[2-(4-chloroanilino)-2-oxoethyl] 4-(phenylcarbamoylamino)benzoate
CID 19059171
[2-(4-chlorophenyl)-2-oxoethyl] 4-[(3-aminobenzoyl)amino]benzoate
CID 71462210
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8664205
4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 42029067
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-methylbenzoate
CID 7971864

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-chlorophenyl)-2-oxoethoxy]carbonylanilino]-4-oxobutanoate?
The IUPAC name of 4-[4-[2-(4-chlorophenyl)-2-oxoethoxy]carbonylanilino]-4-oxobutanoate (CID 6974741) is 4-[4-[2-(4-chlorophenyl)-2-oxoethoxy]carbonylanilino]-4-oxobutanoate.
What is the SMILES notation for 4-[4-[2-(4-chlorophenyl)-2-oxoethoxy]carbonylanilino]-4-oxobutanoate?
The canonical SMILES for 4-[4-[2-(4-chlorophenyl)-2-oxoethoxy]carbonylanilino]-4-oxobutanoate is O=C([O-])CCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[4-[2-(4-chlorophenyl)-2-oxoethoxy]carbonylanilino]-4-oxobutanoate?
The InChIKey is ZERWOUNRNBZMSG-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H16ClNO6/c20-14-5-1-12(2-6-14)16(22)11-27-19(26)13-3-7-15(8-4-13)21-17(23)9-10-18(24)25/h1-8H,9-11H2,(H,21,23)(H,24,25)/p-1.
What are the key properties of 4-[4-[2-(4-chlorophenyl)-2-oxoethoxy]carbonylanilino]-4-oxobutanoate?
4-[4-[2-(4-chlorophenyl)-2-oxoethoxy]carbonylanilino]-4-oxobutanoate has a molecular weight of 388.78 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-chlorophenyl)-2-oxoethoxy]carbonylanilino]-4-oxobutanoate is sourced from PubChem (CID 6974741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).