N'-(2-chloro-6-methylphenyl)-4-propylbenzohydrazide

C17H19ClN2O — CID 127034295

IUPACN'-(2-chloro-6-methylphenyl)-4-propylbenzohydrazide
SMILESCCCc1ccc(C(=O)NNc2c(C)cccc2Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-3-5-13-8-10-14(11-9-13)17(21)20-19-16-12(2)6-4-7-15(16)18/h4,6-11,19H,3,5H2,1-2H3,(H,20,21)
InChIKeyOPAGEGFJIARMCM-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.36
Rot. Bonds5

About N'-(2-chloro-6-methylphenyl)-4-propylbenzohydrazide

N'-(2-chloro-6-methylphenyl)-4-propylbenzohydrazide (PubChem CID 127034295) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N'-(2-chloro-6-methylphenyl)-4-propylbenzohydrazide.

Molecular Properties

Compound NameN'-(2-chloro-6-methylphenyl)-4-propylbenzohydrazide
PubChem CID127034295
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN'-(2-chloro-6-methylphenyl)-4-propylbenzohydrazide
SMILESCCCc1ccc(C(=O)NNc2c(C)cccc2Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-3-5-13-8-10-14(11-9-13)17(21)20-19-16-12(2)6-4-7-15(16)18/h4,6-11,19H,3,5H2,1-2H3,(H,20,21)
InChIKeyOPAGEGFJIARMCM-UHFFFAOYSA-N
XLogP4.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-6-methylphenyl)-4-propylbenzohydrazide?
The IUPAC name of N'-(2-chloro-6-methylphenyl)-4-propylbenzohydrazide (CID 127034295) is N'-(2-chloro-6-methylphenyl)-4-propylbenzohydrazide.
What is the SMILES notation for N'-(2-chloro-6-methylphenyl)-4-propylbenzohydrazide?
The canonical SMILES for N'-(2-chloro-6-methylphenyl)-4-propylbenzohydrazide is CCCc1ccc(C(=O)NNc2c(C)cccc2Cl)cc1.
What is the InChIKey of N'-(2-chloro-6-methylphenyl)-4-propylbenzohydrazide?
The InChIKey is OPAGEGFJIARMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-3-5-13-8-10-14(11-9-13)17(21)20-19-16-12(2)6-4-7-15(16)18/h4,6-11,19H,3,5H2,1-2H3,(H,20,21).
What are the key properties of N'-(2-chloro-6-methylphenyl)-4-propylbenzohydrazide?
N'-(2-chloro-6-methylphenyl)-4-propylbenzohydrazide has a molecular weight of 302.81 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-6-methylphenyl)-4-propylbenzohydrazide is sourced from PubChem (CID 127034295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).