3-chloro-N-(4-ethyl-4-hydroxycyclohexyl)-4-methylbenzamide

C16H22ClNO2 — CID 75399365

IUPAC3-chloro-N-(4-ethyl-4-hydroxycyclohexyl)-4-methylbenzamide
SMILESCCC1(O)CCC(NC(=O)c2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C16H22ClNO2/c1-3-16(20)8-6-13(7-9-16)18-15(19)12-5-4-11(2)14(17)10-12/h4-5,10,13,20H,3,6-9H2,1-2H3,(H,18,19)
InChIKeyWCVPDANTRJRBSN-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.46
Rot. Bonds3

About 3-chloro-N-(4-ethyl-4-hydroxycyclohexyl)-4-methylbenzamide

3-chloro-N-(4-ethyl-4-hydroxycyclohexyl)-4-methylbenzamide (PubChem CID 75399365) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 3-chloro-N-(4-ethyl-4-hydroxycyclohexyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(4-ethyl-4-hydroxycyclohexyl)-4-methylbenzamide
PubChem CID75399365
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name3-chloro-N-(4-ethyl-4-hydroxycyclohexyl)-4-methylbenzamide
SMILESCCC1(O)CCC(NC(=O)c2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C16H22ClNO2/c1-3-16(20)8-6-13(7-9-16)18-15(19)12-5-4-11(2)14(17)10-12/h4-5,10,13,20H,3,6-9H2,1-2H3,(H,18,19)
InChIKeyWCVPDANTRJRBSN-UHFFFAOYSA-N
XLogP3.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-2-oxoethyl]-3-methylbenzoic acid
CID 167982576
4-[(3-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63194787
4-bromo-3-chloro-N-(4,4-dimethylcyclohexyl)benzamide
CID 81308376
3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
CID 104956646
3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 113341605
3-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide
CID 79040021
3-chloro-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426938
4-bromo-3-chloro-N-(4-propylcyclohexyl)benzamide
CID 81308175
2-[(3-chloro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64815140
N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701
[4-(cyclopropylcarbamoyl)-2-methylphenyl]boronic acid
CID 129359426
3,4-dichloro-N-(4-oxocyclohexyl)benzamide
CID 43652866

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-ethyl-4-hydroxycyclohexyl)-4-methylbenzamide?
The IUPAC name of 3-chloro-N-(4-ethyl-4-hydroxycyclohexyl)-4-methylbenzamide (CID 75399365) is 3-chloro-N-(4-ethyl-4-hydroxycyclohexyl)-4-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(4-ethyl-4-hydroxycyclohexyl)-4-methylbenzamide?
The canonical SMILES for 3-chloro-N-(4-ethyl-4-hydroxycyclohexyl)-4-methylbenzamide is CCC1(O)CCC(NC(=O)c2ccc(C)c(Cl)c2)CC1.
What is the InChIKey of 3-chloro-N-(4-ethyl-4-hydroxycyclohexyl)-4-methylbenzamide?
The InChIKey is WCVPDANTRJRBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-3-16(20)8-6-13(7-9-16)18-15(19)12-5-4-11(2)14(17)10-12/h4-5,10,13,20H,3,6-9H2,1-2H3,(H,18,19).
What are the key properties of 3-chloro-N-(4-ethyl-4-hydroxycyclohexyl)-4-methylbenzamide?
3-chloro-N-(4-ethyl-4-hydroxycyclohexyl)-4-methylbenzamide has a molecular weight of 295.81 g/mol, XLogP of 3.46, 3 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-4-hydroxycyclohexyl)-4-methylbenzamide is sourced from PubChem (CID 75399365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).