[2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate

C19H17ClN2O5 — CID 2344655

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H17ClN2O5/c20-14-5-1-12(2-6-14)16(23)9-10-18(25)27-11-17(24)22-15-7-3-13(4-8-15)19(21)26/h1-8H,9-11H2,(H2,21,26)(H,22,24)
InChIKeyYPIZELCIXLNXME-UHFFFAOYSA-N
MW388.81 g/mol
LogP2.58
Rot. Bonds8

About [2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate

[2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate (PubChem CID 2344655) has the molecular formula C19H17ClN2O5 and a molecular weight of 388.81 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
PubChem CID2344655
Molecular FormulaC19H17ClN2O5
Molecular Weight388.81 g/mol
Exact Mass388.08
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H17ClN2O5/c20-14-5-1-12(2-6-14)16(23)9-10-18(25)27-11-17(24)22-15-7-3-13(4-8-15)19(21)26/h1-8H,9-11H2,(H2,21,26)(H,22,24)
InChIKeyYPIZELCIXLNXME-UHFFFAOYSA-N
XLogP2.58
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.81
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate (CID 2344655) is [2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate is NC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
The InChIKey is YPIZELCIXLNXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O5/c20-14-5-1-12(2-6-14)16(23)9-10-18(25)27-11-17(24)22-15-7-3-13(4-8-15)19(21)26/h1-8H,9-11H2,(H2,21,26)(H,22,24).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate?
[2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate has a molecular weight of 388.81 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate is sourced from PubChem (CID 2344655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).