2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide

C15H19Cl2NO2 — CID 62527722

IUPAC2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
SMILESCC1CCCC(CO)(NC(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C15H19Cl2NO2/c1-10-3-2-6-15(8-10,9-19)18-14(20)12-7-11(16)4-5-13(12)17/h4-5,7,10,19H,2-3,6,8-9H2,1H3,(H,18,20)
InChIKeyJTCCQNKBTLQVCJ-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.66
Rot. Bonds3

About 2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide

2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide (PubChem CID 62527722) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
PubChem CID62527722
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
SMILESCC1CCCC(CO)(NC(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C15H19Cl2NO2/c1-10-3-2-6-15(8-10,9-19)18-14(20)12-7-11(16)4-5-13(12)17/h4-5,7,10,19H,2-3,6,8-9H2,1H3,(H,18,20)
InChIKeyJTCCQNKBTLQVCJ-UHFFFAOYSA-N
XLogP3.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62525811
4-chloro-2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62526326
2-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylbenzamide
CID 106861928
5-chloro-N-[1-(chloromethyl)-3-methylcyclohexyl]-2-methylbenzamide
CID 82890432
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,5-dimethylbenzamide
CID 62526492
5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 82883323
3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 80641116
[1-[(2,5-dichlorophenyl)methylamino]-3-methylcyclohexyl]methanol
CID 65316349
5-chloro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527703
5-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 107729897
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62527563
1-(2,5-dichlorophenyl)-2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]ethanol
CID 62551321

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide (CID 62527722) is 2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide is CC1CCCC(CO)(NC(=O)c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide?
The InChIKey is JTCCQNKBTLQVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-10-3-2-6-15(8-10,9-19)18-14(20)12-7-11(16)4-5-13(12)17/h4-5,7,10,19H,2-3,6,8-9H2,1H3,(H,18,20).
What are the key properties of 2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide?
2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide has a molecular weight of 316.23 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide is sourced from PubChem (CID 62527722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).