3,4-dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methoxybenzamide

C16H22Cl2N2O2 — CID 155907659

IUPAC3,4-dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methoxybenzamide
SMILESCON(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N(C)C
InChIInChI=1S/C16H22Cl2N2O2/c1-19(2)14-6-4-5-7-15(14)20(22-3)16(21)11-8-9-12(17)13(18)10-11/h8-10,14-15H,4-7H2,1-3H3/t14-,15-/m1/s1
InChIKeyFUVLLZRVGBSHIX-HUUCEWRRSA-N
MW345.27 g/mol
LogP3.87
Rot. Bonds4

About 3,4-dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methoxybenzamide

3,4-dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methoxybenzamide (PubChem CID 155907659) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 3,4-dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methoxybenzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methoxybenzamide
PubChem CID155907659
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC Name3,4-dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methoxybenzamide
SMILESCON(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N(C)C
InChIInChI=1S/C16H22Cl2N2O2/c1-19(2)14-6-4-5-7-15(14)20(22-3)16(21)11-8-9-12(17)13(18)10-11/h8-10,14-15H,4-7H2,1-3H3/t14-,15-/m1/s1
InChIKeyFUVLLZRVGBSHIX-HUUCEWRRSA-N
XLogP3.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methoxybenzamide?
The IUPAC name of 3,4-dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methoxybenzamide (CID 155907659) is 3,4-dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methoxybenzamide.
What is the SMILES notation for 3,4-dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methoxybenzamide?
The canonical SMILES for 3,4-dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methoxybenzamide is CON(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N(C)C.
What is the InChIKey of 3,4-dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methoxybenzamide?
The InChIKey is FUVLLZRVGBSHIX-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H22Cl2N2O2/c1-19(2)14-6-4-5-7-15(14)20(22-3)16(21)11-8-9-12(17)13(18)10-11/h8-10,14-15H,4-7H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of 3,4-dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methoxybenzamide?
3,4-dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methoxybenzamide has a molecular weight of 345.27 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methoxybenzamide is sourced from PubChem (CID 155907659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).