N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]formamide

C15H15N3O — CID 58958294

IUPACN-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]formamide
SMILESCc1ccccc1/N=N/c1ccc(NC=O)c(C)c1
InChIInChI=1S/C15H15N3O/c1-11-5-3-4-6-15(11)18-17-13-7-8-14(16-10-19)12(2)9-13/h3-10H,1-2H3,(H,16,19)/b18-17+
InChIKeyVTKKMZAWDJHLIN-ISLYRVAYSA-N
MW253.31 g/mol
LogP4.29
Rot. Bonds4

About N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]formamide

N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]formamide (PubChem CID 58958294) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]formamide.

Molecular Properties

Compound NameN-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]formamide
PubChem CID58958294
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC NameN-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]formamide
SMILESCc1ccccc1/N=N/c1ccc(NC=O)c(C)c1
InChIInChI=1S/C15H15N3O/c1-11-5-3-4-6-15(11)18-17-13-7-8-14(16-10-19)12(2)9-13/h3-10H,1-2H3,(H,16,19)/b18-17+
InChIKeyVTKKMZAWDJHLIN-ISLYRVAYSA-N
XLogP4.29
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]formamide?
The IUPAC name of N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]formamide (CID 58958294) is N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]formamide.
What is the SMILES notation for N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]formamide?
The canonical SMILES for N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]formamide is Cc1ccccc1/N=N/c1ccc(NC=O)c(C)c1.
What is the InChIKey of N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]formamide?
The InChIKey is VTKKMZAWDJHLIN-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-11-5-3-4-6-15(11)18-17-13-7-8-14(16-10-19)12(2)9-13/h3-10H,1-2H3,(H,16,19)/b18-17+.
What are the key properties of N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]formamide?
N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]formamide has a molecular weight of 253.31 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]formamide is sourced from PubChem (CID 58958294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).