4-chloro-N-(2-chlorocyclohexyl)-N-methylbenzamide

C14H17Cl2NO — CID 102638083

IUPAC4-chloro-N-(2-chlorocyclohexyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)C1CCCCC1Cl
InChIInChI=1S/C14H17Cl2NO/c1-17(13-5-3-2-4-12(13)16)14(18)10-6-8-11(15)9-7-10/h6-9,12-13H,2-5H2,1H3
InChIKeyBSYNUFGJFSMGPS-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.96
Rot. Bonds2

About 4-chloro-N-(2-chlorocyclohexyl)-N-methylbenzamide

4-chloro-N-(2-chlorocyclohexyl)-N-methylbenzamide (PubChem CID 102638083) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is 4-chloro-N-(2-chlorocyclohexyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-chlorocyclohexyl)-N-methylbenzamide
PubChem CID102638083
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name4-chloro-N-(2-chlorocyclohexyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)C1CCCCC1Cl
InChIInChI=1S/C14H17Cl2NO/c1-17(13-5-3-2-4-12(13)16)14(18)10-6-8-11(15)9-7-10/h6-9,12-13H,2-5H2,1H3
InChIKeyBSYNUFGJFSMGPS-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-3-carboxamide
CID 102638056
5-chloro-N-(2-chlorocyclohexyl)-N-methylfuran-2-carboxamide
CID 106690219
2-chloro-N-(2-chlorocyclohexyl)-6-fluoro-N-methylbenzamide
CID 102637966
4-chloro-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylbenzamide
CID 114088799
N-(2-chlorocyclohexyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 102638149
N-(2-chlorocyclohexyl)-N,4-dimethyl-3-nitrobenzamide
CID 102638136
N-[(1S,2S)-2-(dimethylamino)cyclohexyl]-3,4-difluoro-N-methylbenzamide
CID 165361669
N-(2-chlorocyclohexyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 102638059
4-chloro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N-methylbenzamide
CID 102566146
N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-2-carboxamide
CID 102637885
N-(2-hydroxycyclohexyl)-N-methyl-4-sulfanylbenzamide
CID 107036646
N-(4-aminocyclohexyl)-4-chloro-N-methylbenzamide
CID 79121715

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chlorocyclohexyl)-N-methylbenzamide?
The IUPAC name of 4-chloro-N-(2-chlorocyclohexyl)-N-methylbenzamide (CID 102638083) is 4-chloro-N-(2-chlorocyclohexyl)-N-methylbenzamide.
What is the SMILES notation for 4-chloro-N-(2-chlorocyclohexyl)-N-methylbenzamide?
The canonical SMILES for 4-chloro-N-(2-chlorocyclohexyl)-N-methylbenzamide is CN(C(=O)c1ccc(Cl)cc1)C1CCCCC1Cl.
What is the InChIKey of 4-chloro-N-(2-chlorocyclohexyl)-N-methylbenzamide?
The InChIKey is BSYNUFGJFSMGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-17(13-5-3-2-4-12(13)16)14(18)10-6-8-11(15)9-7-10/h6-9,12-13H,2-5H2,1H3.
What are the key properties of 4-chloro-N-(2-chlorocyclohexyl)-N-methylbenzamide?
4-chloro-N-(2-chlorocyclohexyl)-N-methylbenzamide has a molecular weight of 286.20 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chlorocyclohexyl)-N-methylbenzamide is sourced from PubChem (CID 102638083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).