4-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)-4-oxobutanamide

C16H12Cl3NO3 — CID 108808181

IUPAC4-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C16H12Cl3NO3/c17-10-3-1-9(2-4-10)14(21)5-6-15(22)20-11-7-12(18)16(23)13(19)8-11/h1-4,7-8,23H,5-6H2,(H,20,22)
InChIKeyAMBUPIGDGYOWNN-UHFFFAOYSA-N
MW372.64 g/mol
LogP4.95
Rot. Bonds5

About 4-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)-4-oxobutanamide

4-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)-4-oxobutanamide (PubChem CID 108808181) has the molecular formula C16H12Cl3NO3 and a molecular weight of 372.64 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)-4-oxobutanamide
PubChem CID108808181
Molecular FormulaC16H12Cl3NO3
Molecular Weight372.64 g/mol
Exact Mass370.99
IUPAC Name4-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C16H12Cl3NO3/c17-10-3-1-9(2-4-10)14(21)5-6-15(22)20-11-7-12(18)16(23)13(19)8-11/h1-4,7-8,23H,5-6H2,(H,20,22)
InChIKeyAMBUPIGDGYOWNN-UHFFFAOYSA-N
XLogP4.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.64
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dichloro-4-hydroxyphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 108807181
4-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 5119664
4-(4-chlorophenyl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 42029067
N-(3-chloro-4-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 20969055
N-(5-acetyl-2-chlorophenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 108808163
4-(4-chlorophenyl)-N-(3-iodophenyl)-4-oxobutanamide
CID 26757687
2-(4-chlorophenyl)sulfanyl-N-(3,5-dichloro-4-hydroxyphenyl)acetamide
CID 1026425
N-(4-chlorophenyl)-4-naphthalen-2-yl-4-oxobutanamide
CID 9073279
N-(3,5-dichloro-4-hydroxyphenyl)-4-hydroxybutanamide
CID 107681679
4-(4-chlorophenyl)-N-[3-(dimethylamino)phenyl]-4-oxobutanamide
CID 108796869
N-(4-chloro-2-methylphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 26664486
N-(3-chloro-4-fluorophenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 9165977

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)-4-oxobutanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)-4-oxobutanamide (CID 108808181) is 4-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)-4-oxobutanamide is O=C(CCC(=O)c1ccc(Cl)cc1)Nc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)-4-oxobutanamide?
The InChIKey is AMBUPIGDGYOWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3NO3/c17-10-3-1-9(2-4-10)14(21)5-6-15(22)20-11-7-12(18)16(23)13(19)8-11/h1-4,7-8,23H,5-6H2,(H,20,22).
What are the key properties of 4-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)-4-oxobutanamide?
4-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)-4-oxobutanamide has a molecular weight of 372.64 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(3,5-dichloro-4-hydroxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 108808181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).