5-chloro-2-(2-cyclohexylethoxy)benzohydrazide

C15H21ClN2O2 — CID 54795643

IUPAC5-chloro-2-(2-cyclohexylethoxy)benzohydrazide
SMILESNNC(=O)c1cc(Cl)ccc1OCCC1CCCCC1
InChIInChI=1S/C15H21ClN2O2/c16-12-6-7-14(13(10-12)15(19)18-17)20-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9,17H2,(H,18,19)
InChIKeyUBLJYXJZKRLYON-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.29
Rot. Bonds5

About 5-chloro-2-(2-cyclohexylethoxy)benzohydrazide

5-chloro-2-(2-cyclohexylethoxy)benzohydrazide (PubChem CID 54795643) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 5-chloro-2-(2-cyclohexylethoxy)benzohydrazide.

Molecular Properties

Compound Name5-chloro-2-(2-cyclohexylethoxy)benzohydrazide
PubChem CID54795643
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name5-chloro-2-(2-cyclohexylethoxy)benzohydrazide
SMILESNNC(=O)c1cc(Cl)ccc1OCCC1CCCCC1
InChIInChI=1S/C15H21ClN2O2/c16-12-6-7-14(13(10-12)15(19)18-17)20-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9,17H2,(H,18,19)
InChIKeyUBLJYXJZKRLYON-UHFFFAOYSA-N
XLogP3.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-butoxy-5-chlorobenzohydrazide
CID 54795706
1,4-dichloro-2-(2-cyclohexylethoxy)benzene
CID 114193047
5-chloro-2-(2-phenoxyethoxy)benzohydrazide
CID 54795635
N-(4-amino-2-chlorophenyl)-5-chloro-2-(2-piperidin-4-ylethoxy)benzamide
CID 77106978
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
5-chloro-2-[2-(cyclohexylmethylamino)-2-oxoethoxy]benzamide
CID 9463555
5-chloro-2-(2-pyrrolidin-3-ylethoxy)benzamide
CID 114796482
2-cyclobutylethyl 5-chloro-2-fluorobenzoate
CID 106206623
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
5-chloro-N-cyclohexyl-2-hydrazinylbenzamide
CID 62237687
5-chloro-2-(2-cyclopropylethoxy)benzenesulfinic acid
CID 165453775
4-chloro-N-[4-(2-cyclohexylethoxy)phenyl]benzamide
CID 17137638

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-cyclohexylethoxy)benzohydrazide?
The IUPAC name of 5-chloro-2-(2-cyclohexylethoxy)benzohydrazide (CID 54795643) is 5-chloro-2-(2-cyclohexylethoxy)benzohydrazide.
What is the SMILES notation for 5-chloro-2-(2-cyclohexylethoxy)benzohydrazide?
The canonical SMILES for 5-chloro-2-(2-cyclohexylethoxy)benzohydrazide is NNC(=O)c1cc(Cl)ccc1OCCC1CCCCC1.
What is the InChIKey of 5-chloro-2-(2-cyclohexylethoxy)benzohydrazide?
The InChIKey is UBLJYXJZKRLYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c16-12-6-7-14(13(10-12)15(19)18-17)20-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9,17H2,(H,18,19).
What are the key properties of 5-chloro-2-(2-cyclohexylethoxy)benzohydrazide?
5-chloro-2-(2-cyclohexylethoxy)benzohydrazide has a molecular weight of 296.80 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-cyclohexylethoxy)benzohydrazide is sourced from PubChem (CID 54795643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).