2,4-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylbenzamide

C14H17Cl2NO2 — CID 19061812

IUPAC2,4-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1Cl)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H17Cl2NO2/c1-17(12-4-2-3-5-13(12)18)14(19)10-7-6-9(15)8-11(10)16/h6-8,12-13,18H,2-5H2,1H3/t12-,13-/m1/s1
InChIKeyYKMLGBHGTCBCJW-CHWSQXEVSA-N
MW302.20 g/mol
LogP3.37
Rot. Bonds2

About 2,4-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylbenzamide

2,4-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylbenzamide (PubChem CID 19061812) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 2,4-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylbenzamide
PubChem CID19061812
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name2,4-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1Cl)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H17Cl2NO2/c1-17(12-4-2-3-5-13(12)18)14(19)10-7-6-9(15)8-11(10)16/h6-8,12-13,18H,2-5H2,1H3/t12-,13-/m1/s1
InChIKeyYKMLGBHGTCBCJW-CHWSQXEVSA-N
XLogP3.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(2-hydroxycyclohexyl)-N-methyl-5-sulfanylbenzamide
CID 107036632
(E)-3-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-N-methylprop-2-enamide
CID 102635562
4-fluoro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzamide
CID 102631843
2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444290
3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102635266
3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102631175
5-chloro-N-(2-hydroxycyclohexyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 102636807
2-hydroxy-N-(2-hydroxycyclohexyl)-N,5-dimethylbenzamide
CID 102632488
5-fluoro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzamide
CID 102635118
2-chloro-4-fluoro-N-methyl-N-[(1S,2R)-2-methylsulfonylcyclohexyl]benzamide
CID 96508504
4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide
CID 112805278
3-(4-chlorophenyl)-1-[(1R,2S)-2-hydroxycyclohexyl]-1-methylurea
CID 95706051

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylbenzamide?
The IUPAC name of 2,4-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylbenzamide (CID 19061812) is 2,4-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylbenzamide?
The canonical SMILES for 2,4-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylbenzamide is CN(C(=O)c1ccc(Cl)cc1Cl)[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 2,4-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylbenzamide?
The InChIKey is YKMLGBHGTCBCJW-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-17(12-4-2-3-5-13(12)18)14(19)10-7-6-9(15)8-11(10)16/h6-8,12-13,18H,2-5H2,1H3/t12-,13-/m1/s1.
What are the key properties of 2,4-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylbenzamide?
2,4-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylbenzamide has a molecular weight of 302.20 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylbenzamide is sourced from PubChem (CID 19061812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).