3-chloro-N-[(4-ethylcyclohexyl)methyl]-4-hydroxybenzamide

C16H22ClNO2 — CID 47441341

IUPAC3-chloro-N-[(4-ethylcyclohexyl)methyl]-4-hydroxybenzamide
SMILESCCC1CCC(CNC(=O)c2ccc(O)c(Cl)c2)CC1
InChIInChI=1S/C16H22ClNO2/c1-2-11-3-5-12(6-4-11)10-18-16(20)13-7-8-15(19)14(17)9-13/h7-9,11-12,19H,2-6,10H2,1H3,(H,18,20)
InChIKeyKTABGYSIYWNJFT-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.99
Rot. Bonds4

About 3-chloro-N-[(4-ethylcyclohexyl)methyl]-4-hydroxybenzamide

3-chloro-N-[(4-ethylcyclohexyl)methyl]-4-hydroxybenzamide (PubChem CID 47441341) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 3-chloro-N-[(4-ethylcyclohexyl)methyl]-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[(4-ethylcyclohexyl)methyl]-4-hydroxybenzamide
PubChem CID47441341
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name3-chloro-N-[(4-ethylcyclohexyl)methyl]-4-hydroxybenzamide
SMILESCCC1CCC(CNC(=O)c2ccc(O)c(Cl)c2)CC1
InChIInChI=1S/C16H22ClNO2/c1-2-11-3-5-12(6-4-11)10-18-16(20)13-7-8-15(19)14(17)9-13/h7-9,11-12,19H,2-6,10H2,1H3,(H,18,20)
InChIKeyKTABGYSIYWNJFT-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[(4-ethylcyclohexyl)methyl]-3-hydroxybenzamide
CID 107074297
5,6-dichloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide
CID 63482413
3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106122138
6-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide
CID 47298591
3-chloro-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62539853
3-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16795062
4-hydroxy-3-methyl-N-[(4-methylcyclohexyl)methyl]benzamide
CID 103956686
2-chloro-N-[(4-ethylcyclohexyl)methyl]-5-sulfanylbenzamide
CID 107027247
3-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-4-hydroxybenzamide
CID 81040556
3-chloro-N-(cyclohexylmethyl)-4-ethoxybenzamide
CID 100566051
3,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736364
N-[(4-ethylcyclohexyl)methyl]-3,4,5-trifluorobenzamide
CID 63482414

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-ethylcyclohexyl)methyl]-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-[(4-ethylcyclohexyl)methyl]-4-hydroxybenzamide (CID 47441341) is 3-chloro-N-[(4-ethylcyclohexyl)methyl]-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-[(4-ethylcyclohexyl)methyl]-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-[(4-ethylcyclohexyl)methyl]-4-hydroxybenzamide is CCC1CCC(CNC(=O)c2ccc(O)c(Cl)c2)CC1.
What is the InChIKey of 3-chloro-N-[(4-ethylcyclohexyl)methyl]-4-hydroxybenzamide?
The InChIKey is KTABGYSIYWNJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-2-11-3-5-12(6-4-11)10-18-16(20)13-7-8-15(19)14(17)9-13/h7-9,11-12,19H,2-6,10H2,1H3,(H,18,20).
What are the key properties of 3-chloro-N-[(4-ethylcyclohexyl)methyl]-4-hydroxybenzamide?
3-chloro-N-[(4-ethylcyclohexyl)methyl]-4-hydroxybenzamide has a molecular weight of 295.81 g/mol, XLogP of 3.99, 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-ethylcyclohexyl)methyl]-4-hydroxybenzamide is sourced from PubChem (CID 47441341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).