cis-(1R,2S)-N-(3,4-dichlorophenyl)-2-hydroxy-N-methylcyclohexane-1-carboxamide

C14H17Cl2NO2 — CID 69305559

IUPACcis-(1R,2S)-N-(3,4-dichlorophenyl)-2-hydroxy-N-methylcyclohexane-1-carboxamide
SMILESCN(C(=O)[C@@H]1CCCC[C@@H]1O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H17Cl2NO2/c1-17(9-6-7-11(15)12(16)8-9)14(19)10-4-2-3-5-13(10)18/h6-8,10,13,18H,2-5H2,1H3/t10-,13+/m1/s1
InChIKeyQVGINLHEYOAFKM-MFKMUULPSA-N
MW302.20 g/mol
LogP3.51
Rot. Bonds2

About cis-(1R,2S)-N-(3,4-dichlorophenyl)-2-hydroxy-N-methylcyclohexane-1-carboxamide

cis-(1R,2S)-N-(3,4-dichlorophenyl)-2-hydroxy-N-methylcyclohexane-1-carboxamide (PubChem CID 69305559) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is cis-(1R,2S)-N-(3,4-dichlorophenyl)-2-hydroxy-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(3,4-dichlorophenyl)-2-hydroxy-N-methylcyclohexane-1-carboxamide
PubChem CID69305559
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Namecis-(1R,2S)-N-(3,4-dichlorophenyl)-2-hydroxy-N-methylcyclohexane-1-carboxamide
SMILESCN(C(=O)[C@@H]1CCCC[C@@H]1O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H17Cl2NO2/c1-17(9-6-7-11(15)12(16)8-9)14(19)10-4-2-3-5-13(10)18/h6-8,10,13,18H,2-5H2,1H3/t10-,13+/m1/s1
InChIKeyQVGINLHEYOAFKM-MFKMUULPSA-N
XLogP3.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(3,4-dichlorophenyl)-2-hydroxy-N-methylcyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(3,4-dichlorophenyl)-2-hydroxy-N-methylcyclohexane-1-carboxamide (CID 69305559) is cis-(1R,2S)-N-(3,4-dichlorophenyl)-2-hydroxy-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(3,4-dichlorophenyl)-2-hydroxy-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-(3,4-dichlorophenyl)-2-hydroxy-N-methylcyclohexane-1-carboxamide is CN(C(=O)[C@@H]1CCCC[C@@H]1O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of cis-(1R,2S)-N-(3,4-dichlorophenyl)-2-hydroxy-N-methylcyclohexane-1-carboxamide?
The InChIKey is QVGINLHEYOAFKM-MFKMUULPSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-17(9-6-7-11(15)12(16)8-9)14(19)10-4-2-3-5-13(10)18/h6-8,10,13,18H,2-5H2,1H3/t10-,13+/m1/s1.
What are the key properties of cis-(1R,2S)-N-(3,4-dichlorophenyl)-2-hydroxy-N-methylcyclohexane-1-carboxamide?
cis-(1R,2S)-N-(3,4-dichlorophenyl)-2-hydroxy-N-methylcyclohexane-1-carboxamide has a molecular weight of 302.20 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(3,4-dichlorophenyl)-2-hydroxy-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 69305559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).