N-(4-phenyldiazenylphenyl)prop-2-enamide

C15H13N3O — CID 21498516

IUPACN-(4-phenyldiazenylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C15H13N3O/c1-2-15(19)16-12-8-10-14(11-9-12)18-17-13-6-4-3-5-7-13/h2-11H,1H2,(H,16,19)/b18-17+
InChIKeyYFIHOXAQIJAIHN-ISLYRVAYSA-N
MW251.29 g/mol
LogP4.23
Rot. Bonds4

About N-(4-phenyldiazenylphenyl)prop-2-enamide

N-(4-phenyldiazenylphenyl)prop-2-enamide (PubChem CID 21498516) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(4-phenyldiazenylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-phenyldiazenylphenyl)prop-2-enamide
PubChem CID21498516
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC NameN-(4-phenyldiazenylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C15H13N3O/c1-2-15(19)16-12-8-10-14(11-9-12)18-17-13-6-4-3-5-7-13/h2-11H,1H2,(H,16,19)/b18-17+
InChIKeyYFIHOXAQIJAIHN-ISLYRVAYSA-N
XLogP4.23
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[4-[[4-(prop-2-enoylamino)phenyl]diazenyl]phenyl] prop-2-enoate
CID 138481562
N-(2-phenyldiazenylphenyl)prop-2-enamide;prop-2-enamide
CID 175273963
N-[4-(4-phenyldiazenylphenyl)phenyl]acetamide
CID 2749691
2-methyl-N-(4-phenyldiazenylphenyl)but-2-enamide
CID 175260592
6-[[4-[[4-(prop-2-enoylamino)phenyl]diazenyl]benzoyl]amino]hexanoic acid
CID 101380144
1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea
CID 4677729
2,2-dichloro-N-(4-phenyldiazenylphenyl)acetamide
CID 5180654
(E)-4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide
CID 6055762
4-oxo-N-(4-phenyldiazenylphenyl)-4-pyrrolidin-1-ylbut-2-enamide
CID 4275353
[4-(prop-2-enoylamino)phenyl]mercury
CID 67534138
3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 5177921
3-(4-phenyldiazenylanilino)-3-sulfanylidenepropanoic acid
CID 20978380

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyldiazenylphenyl)prop-2-enamide?
The IUPAC name of N-(4-phenyldiazenylphenyl)prop-2-enamide (CID 21498516) is N-(4-phenyldiazenylphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-phenyldiazenylphenyl)prop-2-enamide?
The canonical SMILES for N-(4-phenyldiazenylphenyl)prop-2-enamide is C=CC(=O)Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of N-(4-phenyldiazenylphenyl)prop-2-enamide?
The InChIKey is YFIHOXAQIJAIHN-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-2-15(19)16-12-8-10-14(11-9-12)18-17-13-6-4-3-5-7-13/h2-11H,1H2,(H,16,19)/b18-17+.
What are the key properties of N-(4-phenyldiazenylphenyl)prop-2-enamide?
N-(4-phenyldiazenylphenyl)prop-2-enamide has a molecular weight of 251.29 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyldiazenylphenyl)prop-2-enamide is sourced from PubChem (CID 21498516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).