3,4-dichloro-N-[2-(diethylamino)cyclohexyl]-N-methylbenzamide

C18H26Cl2N2O — CID 23349712

IUPAC3,4-dichloro-N-[2-(diethylamino)cyclohexyl]-N-methylbenzamide
SMILESCCN(CC)C1CCCCC1N(C)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H26Cl2N2O/c1-4-22(5-2)17-9-7-6-8-16(17)21(3)18(23)13-10-11-14(19)15(20)12-13/h10-12,16-17H,4-9H2,1-3H3
InChIKeyAXACJBKFKCCIOR-UHFFFAOYSA-N
MW357.33 g/mol
LogP4.72
Rot. Bonds5

About 3,4-dichloro-N-[2-(diethylamino)cyclohexyl]-N-methylbenzamide

3,4-dichloro-N-[2-(diethylamino)cyclohexyl]-N-methylbenzamide (PubChem CID 23349712) has the molecular formula C18H26Cl2N2O and a molecular weight of 357.33 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(diethylamino)cyclohexyl]-N-methylbenzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(diethylamino)cyclohexyl]-N-methylbenzamide
PubChem CID23349712
Molecular FormulaC18H26Cl2N2O
Molecular Weight357.33 g/mol
Exact Mass356.14
IUPAC Name3,4-dichloro-N-[2-(diethylamino)cyclohexyl]-N-methylbenzamide
SMILESCCN(CC)C1CCCCC1N(C)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H26Cl2N2O/c1-4-22(5-2)17-9-7-6-8-16(17)21(3)18(23)13-10-11-14(19)15(20)12-13/h10-12,16-17H,4-9H2,1-3H3
InChIKeyAXACJBKFKCCIOR-UHFFFAOYSA-N
XLogP4.72
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 54.72
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-[2-(diethylamino)cyclohexyl]-N-methylbenzamide?
The IUPAC name of 3,4-dichloro-N-[2-(diethylamino)cyclohexyl]-N-methylbenzamide (CID 23349712) is 3,4-dichloro-N-[2-(diethylamino)cyclohexyl]-N-methylbenzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(diethylamino)cyclohexyl]-N-methylbenzamide?
The canonical SMILES for 3,4-dichloro-N-[2-(diethylamino)cyclohexyl]-N-methylbenzamide is CCN(CC)C1CCCCC1N(C)C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(diethylamino)cyclohexyl]-N-methylbenzamide?
The InChIKey is AXACJBKFKCCIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2N2O/c1-4-22(5-2)17-9-7-6-8-16(17)21(3)18(23)13-10-11-14(19)15(20)12-13/h10-12,16-17H,4-9H2,1-3H3.
What are the key properties of 3,4-dichloro-N-[2-(diethylamino)cyclohexyl]-N-methylbenzamide?
3,4-dichloro-N-[2-(diethylamino)cyclohexyl]-N-methylbenzamide has a molecular weight of 357.33 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(diethylamino)cyclohexyl]-N-methylbenzamide is sourced from PubChem (CID 23349712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).