4-chloro-N-(2-chlorocyclohexyl)-2-hydroxybenzamide

C13H15Cl2NO2 — CID 113272580

IUPAC4-chloro-N-(2-chlorocyclohexyl)-2-hydroxybenzamide
SMILESO=C(NC1CCCCC1Cl)c1ccc(Cl)cc1O
InChIInChI=1S/C13H15Cl2NO2/c14-8-5-6-9(12(17)7-8)13(18)16-11-4-2-1-3-10(11)15/h5-7,10-11,17H,1-4H2,(H,16,18)
InChIKeyJTOJNSUGTSCRQC-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.33
Rot. Bonds2

About 4-chloro-N-(2-chlorocyclohexyl)-2-hydroxybenzamide

4-chloro-N-(2-chlorocyclohexyl)-2-hydroxybenzamide (PubChem CID 113272580) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is 4-chloro-N-(2-chlorocyclohexyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-chlorocyclohexyl)-2-hydroxybenzamide
PubChem CID113272580
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name4-chloro-N-(2-chlorocyclohexyl)-2-hydroxybenzamide
SMILESO=C(NC1CCCCC1Cl)c1ccc(Cl)cc1O
InChIInChI=1S/C13H15Cl2NO2/c14-8-5-6-9(12(17)7-8)13(18)16-11-4-2-1-3-10(11)15/h5-7,10-11,17H,1-4H2,(H,16,18)
InChIKeyJTOJNSUGTSCRQC-UHFFFAOYSA-N
XLogP3.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 94413889
N-(2-chlorocyclohexyl)-2,3-dihydroxybenzamide
CID 114345275
N-[2-(bromomethyl)cyclopentyl]-4-chloro-2-hydroxybenzamide
CID 106366538
4-chloro-2-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978486
5-bromo-N-(2-chlorocyclohexyl)-2-fluorobenzamide
CID 114301350
4-chloro-N-(2,4-dimethylcyclohexyl)-2-hydroxybenzamide
CID 63999982
2,4-dibromo-N-(2-chlorocycloheptyl)benzamide
CID 107941355
4-chloro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 43345705
N-(4-bromocyclohexyl)-4-chloro-2-hydroxybenzamide
CID 113274257
4-bromo-N-(2-chlorocyclohexyl)-2-methylbenzamide
CID 113272606
2,4-dihydroxy-N-(2-hydroxycyclohexyl)benzamide
CID 62366802
N-(2-aminocyclohexyl)-2,4-dichlorobenzamide
CID 54905526

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chlorocyclohexyl)-2-hydroxybenzamide?
The IUPAC name of 4-chloro-N-(2-chlorocyclohexyl)-2-hydroxybenzamide (CID 113272580) is 4-chloro-N-(2-chlorocyclohexyl)-2-hydroxybenzamide.
What is the SMILES notation for 4-chloro-N-(2-chlorocyclohexyl)-2-hydroxybenzamide?
The canonical SMILES for 4-chloro-N-(2-chlorocyclohexyl)-2-hydroxybenzamide is O=C(NC1CCCCC1Cl)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-N-(2-chlorocyclohexyl)-2-hydroxybenzamide?
The InChIKey is JTOJNSUGTSCRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c14-8-5-6-9(12(17)7-8)13(18)16-11-4-2-1-3-10(11)15/h5-7,10-11,17H,1-4H2,(H,16,18).
What are the key properties of 4-chloro-N-(2-chlorocyclohexyl)-2-hydroxybenzamide?
4-chloro-N-(2-chlorocyclohexyl)-2-hydroxybenzamide has a molecular weight of 288.17 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chlorocyclohexyl)-2-hydroxybenzamide is sourced from PubChem (CID 113272580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).