5-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-hydroxybenzamide

C12H13Cl2NO2 — CID 55187434

IUPAC5-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-hydroxybenzamide
SMILESO=C(c1cc(Cl)ccc1O)N(CCCl)C1CC1
InChIInChI=1S/C12H13Cl2NO2/c13-5-6-15(9-2-3-9)12(17)10-7-8(14)1-4-11(10)16/h1,4,7,9,16H,2-3,5-6H2
InChIKeyOJXLHUPLVMCBIZ-UHFFFAOYSA-N
MW274.15 g/mol
LogP2.89
Rot. Bonds4

About 5-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-hydroxybenzamide

5-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-hydroxybenzamide (PubChem CID 55187434) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is 5-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-hydroxybenzamide
PubChem CID55187434
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Name5-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-hydroxybenzamide
SMILESO=C(c1cc(Cl)ccc1O)N(CCCl)C1CC1
InChIInChI=1S/C12H13Cl2NO2/c13-5-6-15(9-2-3-9)12(17)10-7-8(14)1-4-11(10)16/h1,4,7,9,16H,2-3,5-6H2
InChIKeyOJXLHUPLVMCBIZ-UHFFFAOYSA-N
XLogP2.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.89
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-(2-chloroethyl)-N-cyclohexyl-2-hydroxybenzamide
CID 63391333
5-chloro-N-cyclopentyl-2-hydroxy-N-(3-methylbutyl)benzamide
CID 112725848
N-(2-chloroethyl)-N-cyclopropyl-2-hydroxy-5-methoxybenzamide
CID 63394206
4-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-methoxybenzamide
CID 55186100
5-chloro-N-cyclopentyl-2-hydroxy-N-(2-methylpropyl)benzamide
CID 112725805
3-[(4-chloro-2-hydroxybenzoyl)-cyclopropylamino]propanoic acid
CID 60845225
5-chloro-2-hydroxy-N-piperidin-3-yl-N-propylbenzamide
CID 63636752
N-(2-amino-2-hydroxyiminoethyl)-5-chloro-N-cyclopentyl-2-hydroxybenzamide
CID 77038093
5-chloro-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide
CID 63394967
3-[(5-chloro-2-methylbenzoyl)-cyclopropylamino]propanoic acid
CID 82880452
4-chloro-N-cyclopentyl-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 54994214
N-(2-bromoethyl)-4-chloro-N-cyclopentyl-2-hydroxybenzamide
CID 80658498

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-hydroxybenzamide (CID 55187434) is 5-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-hydroxybenzamide is O=C(c1cc(Cl)ccc1O)N(CCCl)C1CC1.
What is the InChIKey of 5-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-hydroxybenzamide?
The InChIKey is OJXLHUPLVMCBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c13-5-6-15(9-2-3-9)12(17)10-7-8(14)1-4-11(10)16/h1,4,7,9,16H,2-3,5-6H2.
What are the key properties of 5-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-hydroxybenzamide?
5-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-hydroxybenzamide has a molecular weight of 274.15 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-hydroxybenzamide is sourced from PubChem (CID 55187434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).