5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide

C16H22ClNO2 — CID 82883323

IUPAC5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NC1(CO)CCC(C)CC1
InChIInChI=1S/C16H22ClNO2/c1-11-5-7-16(10-19,8-6-11)18-15(20)14-9-13(17)4-3-12(14)2/h3-4,9,11,19H,5-8,10H2,1-2H3,(H,18,20)
InChIKeyJMRKTHCOQSMGHZ-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.32
Rot. Bonds3

About 5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide

5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide (PubChem CID 82883323) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
PubChem CID82883323
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NC1(CO)CCC(C)CC1
InChIInChI=1S/C16H22ClNO2/c1-11-5-7-16(10-19,8-6-11)18-15(20)14-9-13(17)4-3-12(14)2/h3-4,9,11,19H,5-8,10H2,1-2H3,(H,18,20)
InChIKeyJMRKTHCOQSMGHZ-UHFFFAOYSA-N
XLogP3.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527703
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 62527243
4-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527504
3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527858
2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62526979
3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
CID 62525597
5-chloro-N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methylbenzamide
CID 82890432
3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 107097755
2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62527722
4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide
CID 113356724
3-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
CID 81471727
5-chloro-N-[1-(chloromethyl)cyclopentyl]-2-methylbenzamide
CID 82891196

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide?
The IUPAC name of 5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide (CID 82883323) is 5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide.
What is the SMILES notation for 5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide?
The canonical SMILES for 5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide is Cc1ccc(Cl)cc1C(=O)NC1(CO)CCC(C)CC1.
What is the InChIKey of 5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide?
The InChIKey is JMRKTHCOQSMGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-11-5-7-16(10-19,8-6-11)18-15(20)14-9-13(17)4-3-12(14)2/h3-4,9,11,19H,5-8,10H2,1-2H3,(H,18,20).
What are the key properties of 5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide?
5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide has a molecular weight of 295.81 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide is sourced from PubChem (CID 82883323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).