N-methyl-N-(4-phenyldiazenylphenyl)formamide

C14H13N3O — CID 20987

IUPACN-methyl-N-(4-phenyldiazenylphenyl)formamide
SMILESCN(C=O)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C14H13N3O/c1-17(11-18)14-9-7-13(8-10-14)16-15-12-5-3-2-4-6-12/h2-11H,1H3/b16-15+
InChIKeyPUPBFFGOAGWILX-FOCLMDBBSA-N
MW239.28 g/mol
LogP3.69
Rot. Bonds4

About N-methyl-N-(4-phenyldiazenylphenyl)formamide

N-methyl-N-(4-phenyldiazenylphenyl)formamide (PubChem CID 20987) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is N-methyl-N-(4-phenyldiazenylphenyl)formamide.

Molecular Properties

Compound NameN-methyl-N-(4-phenyldiazenylphenyl)formamide
PubChem CID20987
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC NameN-methyl-N-(4-phenyldiazenylphenyl)formamide
SMILESCN(C=O)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C14H13N3O/c1-17(11-18)14-9-7-13(8-10-14)16-15-12-5-3-2-4-6-12/h2-11H,1H3/b16-15+
InChIKeyPUPBFFGOAGWILX-FOCLMDBBSA-N
XLogP3.69
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.69
H-Bond Donors ≤ 50
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-methyl-N-(4-phenyldiazenylphenyl)formamide?
The IUPAC name of N-methyl-N-(4-phenyldiazenylphenyl)formamide (CID 20987) is N-methyl-N-(4-phenyldiazenylphenyl)formamide.
What is the SMILES notation for N-methyl-N-(4-phenyldiazenylphenyl)formamide?
The canonical SMILES for N-methyl-N-(4-phenyldiazenylphenyl)formamide is CN(C=O)c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-(4-phenyldiazenylphenyl)formamide?
The InChIKey is PUPBFFGOAGWILX-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H13N3O/c1-17(11-18)14-9-7-13(8-10-14)16-15-12-5-3-2-4-6-12/h2-11H,1H3/b16-15+.
What are the key properties of N-methyl-N-(4-phenyldiazenylphenyl)formamide?
N-methyl-N-(4-phenyldiazenylphenyl)formamide has a molecular weight of 239.28 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-phenyldiazenylphenyl)formamide is sourced from PubChem (CID 20987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).