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

C19H17N3O2 — CID 2827423

IUPACN-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]furan-2-carboxamide
SMILESCc1ccccc1/N=N/c1ccc(NC(=O)c2ccco2)c(C)c1
InChIInChI=1S/C19H17N3O2/c1-13-6-3-4-7-17(13)22-21-15-9-10-16(14(2)12-15)20-19(23)18-8-5-11-24-18/h3-12H,1-2H3,(H,20,23)/b22-21+
InChIKeyRDQWQMVBBQKHGH-QURGRASLSA-N
MW319.36 g/mol
LogP5.56
Rot. Bonds4

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

N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]furan-2-carboxamide (PubChem CID 2827423) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]furan-2-carboxamide
PubChem CID2827423
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]furan-2-carboxamide
SMILESCc1ccccc1/N=N/c1ccc(NC(=O)c2ccco2)c(C)c1
InChIInChI=1S/C19H17N3O2/c1-13-6-3-4-7-17(13)22-21-15-9-10-16(14(2)12-15)20-19(23)18-8-5-11-24-18/h3-12H,1-2H3,(H,20,23)/b22-21+
InChIKeyRDQWQMVBBQKHGH-QURGRASLSA-N
XLogP5.56
TPSA66.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.36
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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]furan-2-carboxamide?
The IUPAC name of N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]furan-2-carboxamide (CID 2827423) is N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]furan-2-carboxamide is Cc1ccccc1/N=N/c1ccc(NC(=O)c2ccco2)c(C)c1.
What is the InChIKey of N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]furan-2-carboxamide?
The InChIKey is RDQWQMVBBQKHGH-QURGRASLSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-13-6-3-4-7-17(13)22-21-15-9-10-16(14(2)12-15)20-19(23)18-8-5-11-24-18/h3-12H,1-2H3,(H,20,23)/b22-21+.
What are the key properties of N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]furan-2-carboxamide?
N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]furan-2-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 2827423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).