N-(2,5-dichloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide

C15H15Cl2N3O — CID 104728259

IUPACN-(2,5-dichloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide
SMILESCc1cc(Cl)c(NC(=O)c2ccc(NN)c(C)c2)cc1Cl
InChIInChI=1S/C15H15Cl2N3O/c1-8-6-12(17)14(7-11(8)16)19-15(21)10-3-4-13(20-18)9(2)5-10/h3-7,20H,18H2,1-2H3,(H,19,21)
InChIKeyMCEIOSLGRXGOEB-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.15
Rot. Bonds3

About N-(2,5-dichloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide

N-(2,5-dichloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide (PubChem CID 104728259) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is N-(2,5-dichloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide.

Molecular Properties

Compound NameN-(2,5-dichloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide
PubChem CID104728259
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC NameN-(2,5-dichloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide
SMILESCc1cc(Cl)c(NC(=O)c2ccc(NN)c(C)c2)cc1Cl
InChIInChI=1S/C15H15Cl2N3O/c1-8-6-12(17)14(7-11(8)16)19-15(21)10-3-4-13(20-18)9(2)5-10/h3-7,20H,18H2,1-2H3,(H,19,21)
InChIKeyMCEIOSLGRXGOEB-UHFFFAOYSA-N
XLogP4.15
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-5-chloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide
CID 104725197
N-(2,5-dichloro-4-methylphenyl)-3-methyl-4-(methylamino)benzamide
CID 104728160
4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
CID 104725697
N-(4-chloro-2-iodophenyl)-4-hydrazinyl-3-methylbenzamide
CID 107632237
3-amino-N-(2,5-dichloro-4-methylphenyl)-4-fluorobenzamide
CID 104725727
N-(2,6-dichloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide
CID 83074778
N-(2-bromo-4-chlorophenyl)-4-hydrazinyl-3-methylbenzamide
CID 81275140
4-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide
CID 113445906
N-(2,5-dichloro-4-methylphenyl)benzamide
CID 115761007
N-(3-chloro-4-fluorophenyl)-4-hydrazinyl-3-methylbenzamide
CID 63211979
4-hydrazinyl-3-methyl-N-(2,4,5-trifluorophenyl)benzamide
CID 63212288
4-hydrazinyl-N-(4-iodophenyl)-3-methylbenzamide
CID 55162482

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide?
The IUPAC name of N-(2,5-dichloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide (CID 104728259) is N-(2,5-dichloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide.
What is the SMILES notation for N-(2,5-dichloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide?
The canonical SMILES for N-(2,5-dichloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide is Cc1cc(Cl)c(NC(=O)c2ccc(NN)c(C)c2)cc1Cl.
What is the InChIKey of N-(2,5-dichloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide?
The InChIKey is MCEIOSLGRXGOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-8-6-12(17)14(7-11(8)16)19-15(21)10-3-4-13(20-18)9(2)5-10/h3-7,20H,18H2,1-2H3,(H,19,21).
What are the key properties of N-(2,5-dichloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide?
N-(2,5-dichloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide has a molecular weight of 324.21 g/mol, XLogP of 4.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide is sourced from PubChem (CID 104728259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).