2-(3,4-dichlorophenyl)-2-hydroxyhexanamide

C12H15Cl2NO2 — CID 11460060

IUPAC2-(3,4-dichlorophenyl)-2-hydroxyhexanamide
SMILESCCCCC(O)(C(N)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-2-3-6-12(17,11(15)16)8-4-5-9(13)10(14)7-8/h4-5,7,17H,2-3,6H2,1H3,(H2,15,16)
InChIKeyUNAUNQNWGWABAH-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.86
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-2-hydroxyhexanamide

2-(3,4-dichlorophenyl)-2-hydroxyhexanamide (PubChem CID 11460060) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-hydroxyhexanamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-hydroxyhexanamide
PubChem CID11460060
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name2-(3,4-dichlorophenyl)-2-hydroxyhexanamide
SMILESCCCCC(O)(C(N)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-2-3-6-12(17,11(15)16)8-4-5-9(13)10(14)7-8/h4-5,7,17H,2-3,6H2,1H3,(H2,15,16)
InChIKeyUNAUNQNWGWABAH-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

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Related Compounds

2-(3-Chlorophenyl)-2-hydroxynonanamide
CID 10039502
(2S)-2-(3-chlorophenyl)-2-hydroxynonanamide
CID 24883321
(2R)-2-(3-chlorophenyl)-2-hydroxynonanamide
CID 24883322
Acetamide, 2-(p-chlorophenyl)-2-hydroxy-
CID 29140
2-(3,4-Dichlorophenyl)-2-hydroxypropanoic acid
CID 99842
Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-alpha-hydroxy-, hydrazide
CID 3078106
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
4-(3,4-Dichlorophenyl)-4-hydroxyhexanamide
CID 10125386
3-Hydroxy-3-(3',4'-dichlorophenyl)pentanamide
CID 10149274

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-2-hydroxyhexanamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-hydroxyhexanamide (CID 11460060) is 2-(3,4-dichlorophenyl)-2-hydroxyhexanamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-hydroxyhexanamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-hydroxyhexanamide is CCCCC(O)(C(N)=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-hydroxyhexanamide?
The InChIKey is UNAUNQNWGWABAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-2-3-6-12(17,11(15)16)8-4-5-9(13)10(14)7-8/h4-5,7,17H,2-3,6H2,1H3,(H2,15,16).
What are the key properties of 2-(3,4-dichlorophenyl)-2-hydroxyhexanamide?
2-(3,4-dichlorophenyl)-2-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 2-(3,4-dichlorophenyl)-2-hydroxyhexanamide is sourced from PubChem (CID 11460060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).