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

C15H20ClNO2 — CID 62527858

IUPAC3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
SMILESCC1CCC(CO)(NC(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H20ClNO2/c1-11-5-7-15(10-18,8-6-11)17-14(19)12-3-2-4-13(16)9-12/h2-4,9,11,18H,5-8,10H2,1H3,(H,17,19)
InChIKeyQPGUOTHGUXKIRG-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.01
Rot. Bonds3

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

3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide (PubChem CID 62527858) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
PubChem CID62527858
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
SMILESCC1CCC(CO)(NC(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H20ClNO2/c1-11-5-7-15(10-18,8-6-11)17-14(19)12-3-2-4-13(16)9-12/h2-4,9,11,18H,5-8,10H2,1H3,(H,17,19)
InChIKeyQPGUOTHGUXKIRG-UHFFFAOYSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527504
3-(dimethylamino)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62525606
5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 82883323
5-chloro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527703
2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62526979
3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 107097755
4-acetyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 86791516
3-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
CID 81471727
3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
CID 62525597
N-[1-(aminomethyl)-4-methylcyclohexyl]-3-hydroxybenzamide
CID 63765152
6-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridazine-3-carboxamide
CID 62551682
N-[1-(chloromethyl)-4-methylcyclohexyl]-3-cyanobenzamide
CID 114304169

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide?
The IUPAC name of 3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide (CID 62527858) is 3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide.
What is the SMILES notation for 3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide?
The canonical SMILES for 3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide is CC1CCC(CO)(NC(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide?
The InChIKey is QPGUOTHGUXKIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-11-5-7-15(10-18,8-6-11)17-14(19)12-3-2-4-13(16)9-12/h2-4,9,11,18H,5-8,10H2,1H3,(H,17,19).
What are the key properties of 3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide?
3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide has a molecular weight of 281.78 g/mol, XLogP of 3.01, 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]benzamide is sourced from PubChem (CID 62527858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).