3,4-dichloro-N-[1-cyclohexyl-1-(dimethylamino)ethyl]benzamide

C17H24Cl2N2O — CID 159510980

IUPAC3,4-dichloro-N-[1-cyclohexyl-1-(dimethylamino)ethyl]benzamide
SMILESCN(C)C(C)(NC(=O)c1ccc(Cl)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C17H24Cl2N2O/c1-17(21(2)3,13-7-5-4-6-8-13)20-16(22)12-9-10-14(18)15(19)11-12/h9-11,13H,4-8H2,1-3H3,(H,20,22)
InChIKeyJREOQAQDWGWALA-UHFFFAOYSA-N
MW343.30 g/mol
LogP4.58
Rot. Bonds4

About 3,4-dichloro-N-[1-cyclohexyl-1-(dimethylamino)ethyl]benzamide

3,4-dichloro-N-[1-cyclohexyl-1-(dimethylamino)ethyl]benzamide (PubChem CID 159510980) has the molecular formula C17H24Cl2N2O and a molecular weight of 343.30 g/mol. Its IUPAC name is 3,4-dichloro-N-[1-cyclohexyl-1-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[1-cyclohexyl-1-(dimethylamino)ethyl]benzamide
PubChem CID159510980
Molecular FormulaC17H24Cl2N2O
Molecular Weight343.30 g/mol
Exact Mass342.13
IUPAC Name3,4-dichloro-N-[1-cyclohexyl-1-(dimethylamino)ethyl]benzamide
SMILESCN(C)C(C)(NC(=O)c1ccc(Cl)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C17H24Cl2N2O/c1-17(21(2)3,13-7-5-4-6-8-13)20-16(22)12-9-10-14(18)15(19)11-12/h9-11,13H,4-8H2,1-3H3,(H,20,22)
InChIKeyJREOQAQDWGWALA-UHFFFAOYSA-N
XLogP4.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-[acetyl(cycloheptyl)amino]ethyl]-3,4-dichlorobenzamide
CID 113056706
3-cyclohexyl-1-[(3,4-dichlorobenzoyl)amino]-1-methylthiourea
CID 170856710
3,4-dichloro-N-(2,2-dimethylpropanoyl)benzamide
CID 138984141
cycloheptyl-(3,4-dichlorophenyl)methanone
CID 63490974
cyclohexyl-(3,4-dichlorophenyl)methanone
CID 11601310
3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide
CID 115280931
3,4-dichloro-N-[(1R,2R)-2-[methyl(2-phenylethyl)amino]cyclohexyl]benzamide
CID 54000484
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dichlorobenzamide
CID 115308514
2-cyclopentyl-2-(3,4-dichlorophenyl)propanoic acid
CID 67957962
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899
4-chloro-N-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-methylbenzamide
CID 86814287
3,4-dichloro-N-(2-cyanobutan-2-yl)benzamide
CID 51089519

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[1-cyclohexyl-1-(dimethylamino)ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[1-cyclohexyl-1-(dimethylamino)ethyl]benzamide (CID 159510980) is 3,4-dichloro-N-[1-cyclohexyl-1-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[1-cyclohexyl-1-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[1-cyclohexyl-1-(dimethylamino)ethyl]benzamide is CN(C)C(C)(NC(=O)c1ccc(Cl)c(Cl)c1)C1CCCCC1.
What is the InChIKey of 3,4-dichloro-N-[1-cyclohexyl-1-(dimethylamino)ethyl]benzamide?
The InChIKey is JREOQAQDWGWALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O/c1-17(21(2)3,13-7-5-4-6-8-13)20-16(22)12-9-10-14(18)15(19)11-12/h9-11,13H,4-8H2,1-3H3,(H,20,22).
What are the key properties of 3,4-dichloro-N-[1-cyclohexyl-1-(dimethylamino)ethyl]benzamide?
3,4-dichloro-N-[1-cyclohexyl-1-(dimethylamino)ethyl]benzamide has a molecular weight of 343.30 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[1-cyclohexyl-1-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 159510980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).