5-(5-chloro-2-hydroxyanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid

C17H15Cl2NO4 — CID 66759860

IUPAC5-(5-chloro-2-hydroxyanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid
SMILESO=C(O)CC(CC(=O)Nc1cc(Cl)ccc1O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15Cl2NO4/c18-12-3-1-10(2-4-12)11(8-17(23)24)7-16(22)20-14-9-13(19)5-6-15(14)21/h1-6,9,11,21H,7-8H2,(H,20,22)(H,23,24)
InChIKeyOJQWAJHJNJANPC-UHFFFAOYSA-N
MW368.22 g/mol
LogP4.29
Rot. Bonds6

About 5-(5-chloro-2-hydroxyanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid

5-(5-chloro-2-hydroxyanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid (PubChem CID 66759860) has the molecular formula C17H15Cl2NO4 and a molecular weight of 368.22 g/mol. Its IUPAC name is 5-(5-chloro-2-hydroxyanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(5-chloro-2-hydroxyanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid
PubChem CID66759860
Molecular FormulaC17H15Cl2NO4
Molecular Weight368.22 g/mol
Exact Mass367.04
IUPAC Name5-(5-chloro-2-hydroxyanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid
SMILESO=C(O)CC(CC(=O)Nc1cc(Cl)ccc1O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15Cl2NO4/c18-12-3-1-10(2-4-12)11(8-17(23)24)7-16(22)20-14-9-13(19)5-6-15(14)21/h1-6,9,11,21H,7-8H2,(H,20,22)(H,23,24)
InChIKeyOJQWAJHJNJANPC-UHFFFAOYSA-N
XLogP4.29
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-5-(methylamino)-5-oxopentanoic acid
CID 82132170
3-amino-N-(5-chloro-2-hydroxyphenyl)butanamide
CID 120872763
N-(5-chloro-2-hydroxyphenyl)-2-(4-chlorophenyl)acetamide
CID 1262869
(2S)-2-(benzylamino)-4-(5-chloro-2-hydroxyanilino)-4-oxobutanoic acid
CID 41397676
(3R)-N-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)-3-hydroxypropanamide
CID 97060933
(3S)-3-(4-chlorophenyl)-5-methoxy-5-oxopentanoic acid
CID 44516385
5-[4-(4-chlorophenoxy)anilino]-3-(4-methylphenyl)-5-oxopentanoic acid
CID 76901440
1-benzhydryl-3-(5-chloro-2-hydroxyphenyl)urea
CID 108867456
N-(5-chloro-2-hydroxyphenyl)-4-(4-chlorophenyl)butanamide
CID 56581213
5-(2,5-dichloroanilino)-3-methyl-5-oxopentanoic acid
CID 62964001
sodium;3-(4-chlorophenyl)-4-hydroxybutanoic acid;hydride
CID 132988119
3-acetamido-N-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 51195326

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-hydroxyanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid?
The IUPAC name of 5-(5-chloro-2-hydroxyanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid (CID 66759860) is 5-(5-chloro-2-hydroxyanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(5-chloro-2-hydroxyanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid?
The canonical SMILES for 5-(5-chloro-2-hydroxyanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid is O=C(O)CC(CC(=O)Nc1cc(Cl)ccc1O)c1ccc(Cl)cc1.
What is the InChIKey of 5-(5-chloro-2-hydroxyanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid?
The InChIKey is OJQWAJHJNJANPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO4/c18-12-3-1-10(2-4-12)11(8-17(23)24)7-16(22)20-14-9-13(19)5-6-15(14)21/h1-6,9,11,21H,7-8H2,(H,20,22)(H,23,24).
What are the key properties of 5-(5-chloro-2-hydroxyanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid?
5-(5-chloro-2-hydroxyanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid has a molecular weight of 368.22 g/mol, XLogP of 4.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-hydroxyanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid is sourced from PubChem (CID 66759860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).