5-(4-chloroanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid

C17H15Cl2NO3 — CID 56659988

IUPAC5-(4-chloroanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid
SMILESO=C(O)CC(CC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15Cl2NO3/c18-13-3-1-11(2-4-13)12(10-17(22)23)9-16(21)20-15-7-5-14(19)6-8-15/h1-8,12H,9-10H2,(H,20,21)(H,22,23)
InChIKeyHYWQLQSKSZZSAJ-UHFFFAOYSA-N
MW352.22 g/mol
LogP4.58
Rot. Bonds6

About 5-(4-chloroanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid

5-(4-chloroanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid (PubChem CID 56659988) has the molecular formula C17H15Cl2NO3 and a molecular weight of 352.22 g/mol. Its IUPAC name is 5-(4-chloroanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(4-chloroanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid
PubChem CID56659988
Molecular FormulaC17H15Cl2NO3
Molecular Weight352.22 g/mol
Exact Mass351.04
IUPAC Name5-(4-chloroanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid
SMILESO=C(O)CC(CC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15Cl2NO3/c18-13-3-1-11(2-4-13)12(10-17(22)23)9-16(21)20-15-7-5-14(19)6-8-15/h1-8,12H,9-10H2,(H,20,21)(H,22,23)
InChIKeyHYWQLQSKSZZSAJ-UHFFFAOYSA-N
XLogP4.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloroanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid?
The IUPAC name of 5-(4-chloroanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid (CID 56659988) is 5-(4-chloroanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(4-chloroanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid?
The canonical SMILES for 5-(4-chloroanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid is O=C(O)CC(CC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chloroanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid?
The InChIKey is HYWQLQSKSZZSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO3/c18-13-3-1-11(2-4-13)12(10-17(22)23)9-16(21)20-15-7-5-14(19)6-8-15/h1-8,12H,9-10H2,(H,20,21)(H,22,23).
What are the key properties of 5-(4-chloroanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid?
5-(4-chloroanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid has a molecular weight of 352.22 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloroanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid is sourced from PubChem (CID 56659988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).