1-(3,4-dichlorophenyl)-4-hydroxy-N,4-dimethylcyclohexane-1-carboxamide

C15H19Cl2NO2 — CID 70873535

IUPAC1-(3,4-dichlorophenyl)-4-hydroxy-N,4-dimethylcyclohexane-1-carboxamide
SMILESCNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC(C)(O)CC1
InChIInChI=1S/C15H19Cl2NO2/c1-14(20)5-7-15(8-6-14,13(19)18-2)10-3-4-11(16)12(17)9-10/h3-4,9,20H,5-8H2,1-2H3,(H,18,19)
InChIKeyIDKMJGPKEXJXCK-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.30
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-4-hydroxy-N,4-dimethylcyclohexane-1-carboxamide

1-(3,4-dichlorophenyl)-4-hydroxy-N,4-dimethylcyclohexane-1-carboxamide (PubChem CID 70873535) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4-hydroxy-N,4-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4-hydroxy-N,4-dimethylcyclohexane-1-carboxamide
PubChem CID70873535
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name1-(3,4-dichlorophenyl)-4-hydroxy-N,4-dimethylcyclohexane-1-carboxamide
SMILESCNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC(C)(O)CC1
InChIInChI=1S/C15H19Cl2NO2/c1-14(20)5-7-15(8-6-14,13(19)18-2)10-3-4-11(16)12(17)9-10/h3-4,9,20H,5-8H2,1-2H3,(H,18,19)
InChIKeyIDKMJGPKEXJXCK-UHFFFAOYSA-N
XLogP3.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-4-hydroxy-N,4-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-4-hydroxy-N,4-dimethylcyclohexane-1-carboxamide (CID 70873535) is 1-(3,4-dichlorophenyl)-4-hydroxy-N,4-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4-hydroxy-N,4-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4-hydroxy-N,4-dimethylcyclohexane-1-carboxamide is CNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCC(C)(O)CC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4-hydroxy-N,4-dimethylcyclohexane-1-carboxamide?
The InChIKey is IDKMJGPKEXJXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-14(20)5-7-15(8-6-14,13(19)18-2)10-3-4-11(16)12(17)9-10/h3-4,9,20H,5-8H2,1-2H3,(H,18,19).
What are the key properties of 1-(3,4-dichlorophenyl)-4-hydroxy-N,4-dimethylcyclohexane-1-carboxamide?
1-(3,4-dichlorophenyl)-4-hydroxy-N,4-dimethylcyclohexane-1-carboxamide has a molecular weight of 316.23 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-4-hydroxy-N,4-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 70873535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).