3,4-dichloro-N-[2-(dimethylamino)cyclohexyl]-N-propan-2-ylbenzamide

C18H26Cl2N2O — CID 154562211

IUPAC3,4-dichloro-N-[2-(dimethylamino)cyclohexyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(C(=O)c1ccc(Cl)c(Cl)c1)C1CCCCC1N(C)C
InChIInChI=1S/C18H26Cl2N2O/c1-12(2)22(17-8-6-5-7-16(17)21(3)4)18(23)13-9-10-14(19)15(20)11-13/h9-12,16-17H,5-8H2,1-4H3
InChIKeyLGYQSYWASFBSHJ-UHFFFAOYSA-N
MW357.33 g/mol
LogP4.72
Rot. Bonds4

About 3,4-dichloro-N-[2-(dimethylamino)cyclohexyl]-N-propan-2-ylbenzamide

3,4-dichloro-N-[2-(dimethylamino)cyclohexyl]-N-propan-2-ylbenzamide (PubChem CID 154562211) has the molecular formula C18H26Cl2N2O and a molecular weight of 357.33 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(dimethylamino)cyclohexyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(dimethylamino)cyclohexyl]-N-propan-2-ylbenzamide
PubChem CID154562211
Molecular FormulaC18H26Cl2N2O
Molecular Weight357.33 g/mol
Exact Mass356.14
IUPAC Name3,4-dichloro-N-[2-(dimethylamino)cyclohexyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(C(=O)c1ccc(Cl)c(Cl)c1)C1CCCCC1N(C)C
InChIInChI=1S/C18H26Cl2N2O/c1-12(2)22(17-8-6-5-7-16(17)21(3)4)18(23)13-9-10-14(19)15(20)11-13/h9-12,16-17H,5-8H2,1-4H3
InChIKeyLGYQSYWASFBSHJ-UHFFFAOYSA-N
XLogP4.72
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

N-(2-aminocyclohexyl)-3,4-dichloro-N-methylbenzamide
CID 54195832
2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide
CID 169447588
N-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]cyclohexanecarboxamide
CID 12862707
3,4-dichloro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide
CID 23349811
N-(3,4-dichlorophenyl)-N-[2-(dimethylamino)cyclopentyl]butanamide
CID 12862698
N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide
CID 165361669
3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102631175
N-[(1R,2R)-2-(but-3-enylamino)cyclohexyl]-3,4-dichloro-N-methylbenzamide
CID 88782199
2-[[4-chloro-3-(4-chlorophenyl)benzoyl]-cyclohexylamino]propanoic acid
CID 70908076
3,4-dichloro-N-methyl-N-(1-pyrrolidin-1-ylcyclohexyl)benzamide
CID 70426512
cycloheptyl-(3,4-dichlorophenyl)methanone
CID 63490974
cyclohexyl-(3,4-dichlorophenyl)methanone
CID 11601310

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(dimethylamino)cyclohexyl]-N-propan-2-ylbenzamide?
The IUPAC name of 3,4-dichloro-N-[2-(dimethylamino)cyclohexyl]-N-propan-2-ylbenzamide (CID 154562211) is 3,4-dichloro-N-[2-(dimethylamino)cyclohexyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(dimethylamino)cyclohexyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3,4-dichloro-N-[2-(dimethylamino)cyclohexyl]-N-propan-2-ylbenzamide is CC(C)N(C(=O)c1ccc(Cl)c(Cl)c1)C1CCCCC1N(C)C.
What is the InChIKey of 3,4-dichloro-N-[2-(dimethylamino)cyclohexyl]-N-propan-2-ylbenzamide?
The InChIKey is LGYQSYWASFBSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2N2O/c1-12(2)22(17-8-6-5-7-16(17)21(3)4)18(23)13-9-10-14(19)15(20)11-13/h9-12,16-17H,5-8H2,1-4H3.
What are the key properties of 3,4-dichloro-N-[2-(dimethylamino)cyclohexyl]-N-propan-2-ylbenzamide?
3,4-dichloro-N-[2-(dimethylamino)cyclohexyl]-N-propan-2-ylbenzamide has a molecular weight of 357.33 g/mol, XLogP of 4.72, 4 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-(dimethylamino)cyclohexyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 154562211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).