2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methylbenzamide

C16H22ClNO2 — CID 106509715

IUPAC2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CCO)C2CCCCC2)c(Cl)c1
InChIInChI=1S/C16H22ClNO2/c1-12-7-8-14(15(17)11-12)16(20)18(9-10-19)13-5-3-2-4-6-13/h7-8,11,13,19H,2-6,9-10H2,1H3
InChIKeyUQLNMVQGXSZRQA-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.42
Rot. Bonds4

About 2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methylbenzamide

2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methylbenzamide (PubChem CID 106509715) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methylbenzamide
PubChem CID106509715
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CCO)C2CCCCC2)c(Cl)c1
InChIInChI=1S/C16H22ClNO2/c1-12-7-8-14(15(17)11-12)16(20)18(9-10-19)13-5-3-2-4-6-13/h7-8,11,13,19H,2-6,9-10H2,1H3
InChIKeyUQLNMVQGXSZRQA-UHFFFAOYSA-N
XLogP3.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62510137
2-chloro-N-cyclohexyl-5-hydroxy-N-(2-hydroxyethyl)benzamide
CID 106501618
N-cyclohexyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide
CID 107671574
2-chloro-4-methyl-N-piperidin-3-yl-N-propylbenzamide
CID 106862150
4-chloro-N-cyclopentyl-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 54994214
4-chloro-N-cyclohexyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 81226502
4-bromo-2-chloro-N-cyclohexyl-N-ethylbenzamide
CID 52696658
N-cyclobutyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide
CID 102685018
5-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-2-(methylamino)benzamide
CID 62174801
N-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide
CID 54993921
4-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 102867141
N-cyclopentyl-2,4-dihydroxy-N-(2-hydroxyethyl)benzamide
CID 54994498

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methylbenzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methylbenzamide (CID 106509715) is 2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methylbenzamide is Cc1ccc(C(=O)N(CCO)C2CCCCC2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methylbenzamide?
The InChIKey is UQLNMVQGXSZRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-12-7-8-14(15(17)11-12)16(20)18(9-10-19)13-5-3-2-4-6-13/h7-8,11,13,19H,2-6,9-10H2,1H3.
What are the key properties of 2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methylbenzamide?
2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methylbenzamide has a molecular weight of 295.81 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methylbenzamide is sourced from PubChem (CID 106509715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).