N'-(4-chloro-2-methylphenyl)-3-phenylpropanehydrazide

C16H17ClN2O — CID 2811341

IUPACN'-(4-chloro-2-methylphenyl)-3-phenylpropanehydrazide
SMILESCc1cc(Cl)ccc1NNC(=O)CCc1ccccc1
InChIInChI=1S/C16H17ClN2O/c1-12-11-14(17)8-9-15(12)18-19-16(20)10-7-13-5-3-2-4-6-13/h2-6,8-9,11,18H,7,10H2,1H3,(H,19,20)
InChIKeyGXCXLBVGYMXYKA-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.72
Rot. Bonds5

About N'-(4-chloro-2-methylphenyl)-3-phenylpropanehydrazide

N'-(4-chloro-2-methylphenyl)-3-phenylpropanehydrazide (PubChem CID 2811341) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N'-(4-chloro-2-methylphenyl)-3-phenylpropanehydrazide.

Molecular Properties

Compound NameN'-(4-chloro-2-methylphenyl)-3-phenylpropanehydrazide
PubChem CID2811341
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN'-(4-chloro-2-methylphenyl)-3-phenylpropanehydrazide
SMILESCc1cc(Cl)ccc1NNC(=O)CCc1ccccc1
InChIInChI=1S/C16H17ClN2O/c1-12-11-14(17)8-9-15(12)18-19-16(20)10-7-13-5-3-2-4-6-13/h2-6,8-9,11,18H,7,10H2,1H3,(H,19,20)
InChIKeyGXCXLBVGYMXYKA-UHFFFAOYSA-N
XLogP3.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.72
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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Related Compounds

Benzoic acid, 4-chloro-, 2-phenylhydrazide
CID 27023
Benzoic acid, 2-(p-chlorophenyl)hydrazide
CID 28566
Benzoic acid, p-chloro-, 2-(p-chlorophenyl)hydrazide
CID 37486
N'-(4-chlorophenyl)-4-ethylbenzohydrazide
CID 2812572
N'-(2-ethylphenyl)-3-phenylpropanohydrazide
CID 2811986
N'-(2-methylphenyl)cyclohexanecarbohydrazide
CID 11955827
2-cyclohexyl-N'-(2-methylphenyl)acetohydrazide
CID 24865188
N'-(2,6-dimethylphenyl)-3-phenylpropanehydrazide
CID 57412921
4-tert-butyl-N'-(2-chloro-6-methylphenyl)benzohydrazide
CID 127033760
N'-(2-chloro-6-methylphenyl)-4-propylbenzohydrazide
CID 127034295
(E)-N'-(4-chlorophenyl)-3-phenylprop-2-enehydrazide
CID 2517818
N'-(2,4-dimethylphenyl)-3-phenylpropanohydrazide
CID 2812159

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methylphenyl)-3-phenylpropanehydrazide?
The IUPAC name of N'-(4-chloro-2-methylphenyl)-3-phenylpropanehydrazide (CID 2811341) is N'-(4-chloro-2-methylphenyl)-3-phenylpropanehydrazide.
What is the SMILES notation for N'-(4-chloro-2-methylphenyl)-3-phenylpropanehydrazide?
The canonical SMILES for N'-(4-chloro-2-methylphenyl)-3-phenylpropanehydrazide is Cc1cc(Cl)ccc1NNC(=O)CCc1ccccc1.
What is the InChIKey of N'-(4-chloro-2-methylphenyl)-3-phenylpropanehydrazide?
The InChIKey is GXCXLBVGYMXYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-12-11-14(17)8-9-15(12)18-19-16(20)10-7-13-5-3-2-4-6-13/h2-6,8-9,11,18H,7,10H2,1H3,(H,19,20).
What are the key properties of N'-(4-chloro-2-methylphenyl)-3-phenylpropanehydrazide?
N'-(4-chloro-2-methylphenyl)-3-phenylpropanehydrazide has a molecular weight of 288.78 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-methylphenyl)-3-phenylpropanehydrazide is sourced from PubChem (CID 2811341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).