3,4-dichloro-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-methylbenzamide

C16H22Cl2N2O — CID 71719125

IUPAC3,4-dichloro-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-methylbenzamide
SMILESCN(C)[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2O/c1-19(2)14-6-4-5-7-15(14)20(3)16(21)11-8-9-12(17)13(18)10-11/h8-10,14-15H,4-7H2,1-3H3/t14-,15-/m0/s1
InChIKeyJGPNMZWFVRQNGU-GJZGRUSLSA-N
MW329.27 g/mol
LogP3.94
Rot. Bonds3

About 3,4-dichloro-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-methylbenzamide

3,4-dichloro-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-methylbenzamide (PubChem CID 71719125) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is 3,4-dichloro-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-methylbenzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-methylbenzamide
PubChem CID71719125
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name3,4-dichloro-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-methylbenzamide
SMILESCN(C)[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2O/c1-19(2)14-6-4-5-7-15(14)20(3)16(21)11-8-9-12(17)13(18)10-11/h8-10,14-15H,4-7H2,1-3H3/t14-,15-/m0/s1
InChIKeyJGPNMZWFVRQNGU-GJZGRUSLSA-N
XLogP3.94
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-methylbenzamide?
The IUPAC name of 3,4-dichloro-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-methylbenzamide (CID 71719125) is 3,4-dichloro-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-methylbenzamide.
What is the SMILES notation for 3,4-dichloro-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-methylbenzamide?
The canonical SMILES for 3,4-dichloro-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-methylbenzamide is CN(C)[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-methylbenzamide?
The InChIKey is JGPNMZWFVRQNGU-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-19(2)14-6-4-5-7-15(14)20(3)16(21)11-8-9-12(17)13(18)10-11/h8-10,14-15H,4-7H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of 3,4-dichloro-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-methylbenzamide?
3,4-dichloro-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-methylbenzamide has a molecular weight of 329.27 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-N-methylbenzamide is sourced from PubChem (CID 71719125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).