3,5-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide

C15H19Cl2NO2 — CID 115701177

IUPAC3,5-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1(CO)CCCCC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H19Cl2NO2/c16-12-6-11(7-13(17)8-12)14(20)18-9-15(10-19)4-2-1-3-5-15/h6-8,19H,1-5,9-10H2,(H,18,20)
InChIKeyCRPYFCIDVHUEIX-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.67
Rot. Bonds4

About 3,5-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide

3,5-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide (PubChem CID 115701177) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 3,5-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
PubChem CID115701177
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name3,5-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1(CO)CCCCC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H19Cl2NO2/c16-12-6-11(7-13(17)8-12)14(20)18-9-15(10-19)4-2-1-3-5-15/h6-8,19H,1-5,9-10H2,(H,18,20)
InChIKeyCRPYFCIDVHUEIX-UHFFFAOYSA-N
XLogP3.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357752
2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 115701162
3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 115453985
3,5-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701272
3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-5-chlorobenzamide
CID 107941344
3,5-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
CID 115362194
4-amino-3,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 82832457
4-fluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methylbenzamide
CID 115701270
4-chloro-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115362566
3-bromo-5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 104957596
1-(3,5-dichlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 103719568
5-bromo-2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 110631551

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide (CID 115701177) is 3,5-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide is O=C(NCC1(CO)CCCCC1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
The InChIKey is CRPYFCIDVHUEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c16-12-6-11(7-13(17)8-12)14(20)18-9-15(10-19)4-2-1-3-5-15/h6-8,19H,1-5,9-10H2,(H,18,20).
What are the key properties of 3,5-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide?
3,5-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide has a molecular weight of 316.23 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 115701177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).