N'-(3-chloro-4-methylphenyl)-4-ethylbenzohydrazide

C16H17ClN2O — CID 2811327

IUPACN'-(3-chloro-4-methylphenyl)-4-ethylbenzohydrazide
SMILESCCc1ccc(C(=O)NNc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C16H17ClN2O/c1-3-12-5-7-13(8-6-12)16(20)19-18-14-9-4-11(2)15(17)10-14/h4-10,18H,3H2,1-2H3,(H,19,20)
InChIKeyCJFIQZXAVGQPLU-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.97
Rot. Bonds4

About N'-(3-chloro-4-methylphenyl)-4-ethylbenzohydrazide

N'-(3-chloro-4-methylphenyl)-4-ethylbenzohydrazide (PubChem CID 2811327) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N'-(3-chloro-4-methylphenyl)-4-ethylbenzohydrazide.

Molecular Properties

Compound NameN'-(3-chloro-4-methylphenyl)-4-ethylbenzohydrazide
PubChem CID2811327
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN'-(3-chloro-4-methylphenyl)-4-ethylbenzohydrazide
SMILESCCc1ccc(C(=O)NNc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C16H17ClN2O/c1-3-12-5-7-13(8-6-12)16(20)19-18-14-9-4-11(2)15(17)10-14/h4-10,18H,3H2,1-2H3,(H,19,20)
InChIKeyCJFIQZXAVGQPLU-UHFFFAOYSA-N
XLogP3.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.97
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
2-chloro-N'-(4-chlorophenyl)-6-fluorobenzohydrazide
CID 2812570
N'-(4-chlorophenyl)-4-ethylbenzohydrazide
CID 2812572
Benzoic acid, 2-(3,4-dichlorophenyl)hydrazide
CID 25730
N'-(4-fluorophenyl)-4-propylbenzohydrazide
CID 2812001
N'-(2-fluorophenyl)-4-propylbenzohydrazide
CID 2812146
N'-(3-methylphenyl)-4-propylbenzohydrazide
CID 2812378
2-chloro-N'-(3,5-dichlorophenyl)-6-fluorobenzohydrazide
CID 2812896
N'-(3,5-dichlorophenyl)-4-ethylbenzohydrazide
CID 2813075
4-(tert-butyl)-N'-(3,5-dichlorophenyl)benzohydrazide
CID 2813076

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methylphenyl)-4-ethylbenzohydrazide?
The IUPAC name of N'-(3-chloro-4-methylphenyl)-4-ethylbenzohydrazide (CID 2811327) is N'-(3-chloro-4-methylphenyl)-4-ethylbenzohydrazide.
What is the SMILES notation for N'-(3-chloro-4-methylphenyl)-4-ethylbenzohydrazide?
The canonical SMILES for N'-(3-chloro-4-methylphenyl)-4-ethylbenzohydrazide is CCc1ccc(C(=O)NNc2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of N'-(3-chloro-4-methylphenyl)-4-ethylbenzohydrazide?
The InChIKey is CJFIQZXAVGQPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-3-12-5-7-13(8-6-12)16(20)19-18-14-9-4-11(2)15(17)10-14/h4-10,18H,3H2,1-2H3,(H,19,20).
What are the key properties of N'-(3-chloro-4-methylphenyl)-4-ethylbenzohydrazide?
N'-(3-chloro-4-methylphenyl)-4-ethylbenzohydrazide has a molecular weight of 288.78 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methylphenyl)-4-ethylbenzohydrazide is sourced from PubChem (CID 2811327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).