4-(3,4-dichlorophenyl)-4-hydroxyhexanamide

C12H15Cl2NO2 — CID 10125386

IUPAC4-(3,4-dichlorophenyl)-4-hydroxyhexanamide
SMILESCCC(O)(CCC(N)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-2-12(17,6-5-11(15)16)8-3-4-9(13)10(14)7-8/h3-4,7,17H,2,5-6H2,1H3,(H2,15,16)
InChIKeyMLWNKFHTRAKJLP-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.86
Rot. Bonds5

About 4-(3,4-dichlorophenyl)-4-hydroxyhexanamide

4-(3,4-dichlorophenyl)-4-hydroxyhexanamide (PubChem CID 10125386) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-4-hydroxyhexanamide.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-4-hydroxyhexanamide
PubChem CID10125386
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name4-(3,4-dichlorophenyl)-4-hydroxyhexanamide
SMILESCCC(O)(CCC(N)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-2-12(17,6-5-11(15)16)8-3-4-9(13)10(14)7-8/h3-4,7,17H,2,5-6H2,1H3,(H2,15,16)
InChIKeyMLWNKFHTRAKJLP-UHFFFAOYSA-N
XLogP2.86
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(3,4-dichlorophenyl)-4-hydroxyhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-dichlorophenyl)-N,3-dihydroxypropanamide
CID 72707672
2-(3-Chlorophenyl)-2-hydroxynonanamide
CID 10039502
(2S)-2-(3-chlorophenyl)-2-hydroxynonanamide
CID 24883321
(2R)-2-(3-chlorophenyl)-2-hydroxynonanamide
CID 24883322
2-(3-Chlorophenyl)-2-hydroxynon-8-enamide
CID 70682599
2-(3-Chlorophenyl)-2-hydroxy-5,9-dimethyldec-8-enamide
CID 70693132
(4E)-2-(3-chlorophenyl)-2-hydroxy-5,9-dimethyldeca-4,8-dienamide
CID 70697237
Propanediamide, 2-(3,4-dichlorophenyl)-2-hydroxy-
CID 158916
3-Hydroxy-3-(3',4'-dichlorophenyl)pentanamide
CID 10149274
2-(3,4-Dichlorophenyl)-2-hydroxybutanamide
CID 10285982
2-(3,4-Dichlorophenyl)-2-hydroxyhexanamide
CID 11460060
3-(4-Chlorophenyl)-2,2-difluoro-3-hydroxybutanamide
CID 163265569

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-4-hydroxyhexanamide?
The IUPAC name of 4-(3,4-dichlorophenyl)-4-hydroxyhexanamide (CID 10125386) is 4-(3,4-dichlorophenyl)-4-hydroxyhexanamide.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-4-hydroxyhexanamide?
The canonical SMILES for 4-(3,4-dichlorophenyl)-4-hydroxyhexanamide is CCC(O)(CCC(N)=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-4-hydroxyhexanamide?
The InChIKey is MLWNKFHTRAKJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-2-12(17,6-5-11(15)16)8-3-4-9(13)10(14)7-8/h3-4,7,17H,2,5-6H2,1H3,(H2,15,16).
What are the key properties of 4-(3,4-dichlorophenyl)-4-hydroxyhexanamide?
4-(3,4-dichlorophenyl)-4-hydroxyhexanamide has a molecular weight of 276.16 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-4-hydroxyhexanamide is sourced from PubChem (CID 10125386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).