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

C16H22ClNO2 — CID 107097755

IUPAC3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)NC1(CO)CCC(C)CC1
InChIInChI=1S/C16H22ClNO2/c1-11-6-8-16(10-19,9-7-11)18-15(20)13-4-3-5-14(17)12(13)2/h3-5,11,19H,6-10H2,1-2H3,(H,18,20)
InChIKeyUFAJJJQSTWVQNK-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.32
Rot. Bonds3

About 3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide

3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide (PubChem CID 107097755) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
PubChem CID107097755
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)NC1(CO)CCC(C)CC1
InChIInChI=1S/C16H22ClNO2/c1-11-6-8-16(10-19,9-7-11)18-15(20)13-4-3-5-14(17)12(13)2/h3-5,11,19H,6-10H2,1-2H3,(H,18,20)
InChIKeyUFAJJJQSTWVQNK-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

2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62526979
5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 82883323
3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527858
4-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527504
N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dimethylbenzamide
CID 63766094
5-chloro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527703
2-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide
CID 104630803
2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081718
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 62527243
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,5-dimethylfuran-3-carboxamide
CID 62526454
4-acetyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 86791516
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-chloro-2-methylbenzamide
CID 107098315

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide?
The IUPAC name of 3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide (CID 107097755) is 3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide?
The canonical SMILES for 3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide is Cc1c(Cl)cccc1C(=O)NC1(CO)CCC(C)CC1.
What is the InChIKey of 3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide?
The InChIKey is UFAJJJQSTWVQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-11-6-8-16(10-19,9-7-11)18-15(20)13-4-3-5-14(17)12(13)2/h3-5,11,19H,6-10H2,1-2H3,(H,18,20).
What are the key properties of 3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide?
3-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 3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide is sourced from PubChem (CID 107097755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).