4-chloro-N-(2-chloroethyl)-N-cyclohexyl-2-hydroxybenzamide

C15H19Cl2NO2 — CID 63391333

IUPAC4-chloro-N-(2-chloroethyl)-N-cyclohexyl-2-hydroxybenzamide
SMILESO=C(c1ccc(Cl)cc1O)N(CCCl)C1CCCCC1
InChIInChI=1S/C15H19Cl2NO2/c16-8-9-18(12-4-2-1-3-5-12)15(20)13-7-6-11(17)10-14(13)19/h6-7,10,12,19H,1-5,8-9H2
InChIKeyPMRSBCCHYUYFNZ-UHFFFAOYSA-N
MW316.23 g/mol
LogP4.06
Rot. Bonds4

About 4-chloro-N-(2-chloroethyl)-N-cyclohexyl-2-hydroxybenzamide

4-chloro-N-(2-chloroethyl)-N-cyclohexyl-2-hydroxybenzamide (PubChem CID 63391333) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 4-chloro-N-(2-chloroethyl)-N-cyclohexyl-2-hydroxybenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-chloroethyl)-N-cyclohexyl-2-hydroxybenzamide
PubChem CID63391333
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name4-chloro-N-(2-chloroethyl)-N-cyclohexyl-2-hydroxybenzamide
SMILESO=C(c1ccc(Cl)cc1O)N(CCCl)C1CCCCC1
InChIInChI=1S/C15H19Cl2NO2/c16-8-9-18(12-4-2-1-3-5-12)15(20)13-7-6-11(17)10-14(13)19/h6-7,10,12,19H,1-5,8-9H2
InChIKeyPMRSBCCHYUYFNZ-UHFFFAOYSA-N
XLogP4.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-cyclopentyl-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 54994214
N-(2-bromoethyl)-4-chloro-N-cyclopentyl-2-hydroxybenzamide
CID 80658498
5-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-hydroxybenzamide
CID 55187434
4-bromo-N-(2-chloroethyl)-N-cyclobutyl-2-hydroxybenzamide
CID 102872665
3-[(4-chloro-2-hydroxybenzoyl)-cyclopropylamino]propanoic acid
CID 60845225
N-(2-chloroethyl)-N-cyclohexyl-2,5-difluorobenzamide
CID 63391286
N-cyclopentyl-2,4-dihydroxy-N-(2-hydroxyethyl)benzamide
CID 54994498
4-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-methoxybenzamide
CID 55186100
N-(2-chloroethyl)-N-cyclopentyl-3-hydroxypyridine-4-carboxamide
CID 81442647
3,5-dichloro-N-(2-chloroethyl)-N-cyclohexylbenzamide
CID 63391653
N-(2-chloroethyl)-N-cyclohexyl-3,4-dihydroxybenzamide
CID 107728945
5-chloro-N-cyclopentyl-2-hydroxy-N-(3-methylbutyl)benzamide
CID 112725848

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chloroethyl)-N-cyclohexyl-2-hydroxybenzamide?
The IUPAC name of 4-chloro-N-(2-chloroethyl)-N-cyclohexyl-2-hydroxybenzamide (CID 63391333) is 4-chloro-N-(2-chloroethyl)-N-cyclohexyl-2-hydroxybenzamide.
What is the SMILES notation for 4-chloro-N-(2-chloroethyl)-N-cyclohexyl-2-hydroxybenzamide?
The canonical SMILES for 4-chloro-N-(2-chloroethyl)-N-cyclohexyl-2-hydroxybenzamide is O=C(c1ccc(Cl)cc1O)N(CCCl)C1CCCCC1.
What is the InChIKey of 4-chloro-N-(2-chloroethyl)-N-cyclohexyl-2-hydroxybenzamide?
The InChIKey is PMRSBCCHYUYFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c16-8-9-18(12-4-2-1-3-5-12)15(20)13-7-6-11(17)10-14(13)19/h6-7,10,12,19H,1-5,8-9H2.
What are the key properties of 4-chloro-N-(2-chloroethyl)-N-cyclohexyl-2-hydroxybenzamide?
4-chloro-N-(2-chloroethyl)-N-cyclohexyl-2-hydroxybenzamide has a molecular weight of 316.23 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chloroethyl)-N-cyclohexyl-2-hydroxybenzamide is sourced from PubChem (CID 63391333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).