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

C15H20ClNO2 — CID 62527504

IUPAC4-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
SMILESCC1CCC(CO)(NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H20ClNO2/c1-11-6-8-15(10-18,9-7-11)17-14(19)12-2-4-13(16)5-3-12/h2-5,11,18H,6-10H2,1H3,(H,17,19)
InChIKeyCARIBCUUYSQKLM-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.01
Rot. Bonds3

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

4-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide (PubChem CID 62527504) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 4-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
PubChem CID62527504
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name4-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
SMILESCC1CCC(CO)(NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H20ClNO2/c1-11-6-8-15(10-18,9-7-11)17-14(19)12-2-4-13(16)5-3-12/h2-5,11,18H,6-10H2,1H3,(H,17,19)
InChIKeyCARIBCUUYSQKLM-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-acetyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 86791516
3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527858
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-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
CID 62525597
3-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
CID 81471727
6-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridazine-3-carboxamide
CID 62551682
3-chloro-N-[1-(chloromethyl)-4-methylcyclohexyl]-4-fluorobenzamide
CID 82879015
3-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 107097755
5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618517
4-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxybenzamide
CID 104782857

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide?
The IUPAC name of 4-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide (CID 62527504) is 4-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide?
The canonical SMILES for 4-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide is CC1CCC(CO)(NC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide?
The InChIKey is CARIBCUUYSQKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-11-6-8-15(10-18,9-7-11)17-14(19)12-2-4-13(16)5-3-12/h2-5,11,18H,6-10H2,1H3,(H,17,19).
What are the key properties of 4-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide?
4-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 4-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide is sourced from PubChem (CID 62527504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).