3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide

C16H22ClNO2 — CID 65124121

IUPAC3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
SMILESCCC1CCC(O)(CNC(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H22ClNO2/c1-2-12-6-8-16(20,9-7-12)11-18-15(19)13-4-3-5-14(17)10-13/h3-5,10,12,20H,2,6-9,11H2,1H3,(H,18,19)
InChIKeyDGLCETFYXAOSDC-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.40
Rot. Bonds4

About 3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide

3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide (PubChem CID 65124121) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
PubChem CID65124121
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
SMILESCCC1CCC(O)(CNC(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H22ClNO2/c1-2-12-6-8-16(20,9-7-12)11-18-15(19)13-4-3-5-14(17)10-13/h3-5,10,12,20H,2,6-9,11H2,1H3,(H,18,19)
InChIKeyDGLCETFYXAOSDC-UHFFFAOYSA-N
XLogP3.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124263
3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-iodobenzamide
CID 103209091
4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluorobenzamide
CID 65123638
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluoro-4-methylbenzamide
CID 65123648
3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 107097791
4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124189
4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluorobenzamide
CID 65117358
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2,3-dihydroxybenzamide
CID 114344926
2-(2-chlorophenyl)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide
CID 65121812
4-bromo-2-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65123585
4-chloro-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 65124177
3-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 111463021

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide?
The IUPAC name of 3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide (CID 65124121) is 3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide is CCC1CCC(O)(CNC(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide?
The InChIKey is DGLCETFYXAOSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-2-12-6-8-16(20,9-7-12)11-18-15(19)13-4-3-5-14(17)10-13/h3-5,10,12,20H,2,6-9,11H2,1H3,(H,18,19).
What are the key properties of 3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide?
3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide has a molecular weight of 295.81 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 65124121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).