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

C18H18N4O2 — CID 175273963

IUPACN-(2-phenyldiazenylphenyl)prop-2-enamide;prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1/N=N/c1ccccc1.C=CC(N)=O
InChIInChI=1S/C15H13N3O.C3H5NO/c1-2-15(19)16-13-10-6-7-11-14(13)18-17-12-8-4-3-5-9-12;1-2-3(4)5/h2-11H,1H2,(H,16,19);2H,1H2,(H2,4,5)/b18-17+;
InChIKeyYXIIYVLKZVQGAT-ZAGWXBKKSA-N
MW322.37 g/mol
LogP3.88
Rot. Bonds5

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

N-(2-phenyldiazenylphenyl)prop-2-enamide;prop-2-enamide (PubChem CID 175273963) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(2-phenyldiazenylphenyl)prop-2-enamide;prop-2-enamide.

Molecular Properties

Compound NameN-(2-phenyldiazenylphenyl)prop-2-enamide;prop-2-enamide
PubChem CID175273963
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(2-phenyldiazenylphenyl)prop-2-enamide;prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1/N=N/c1ccccc1.C=CC(N)=O
InChIInChI=1S/C15H13N3O.C3H5NO/c1-2-15(19)16-13-10-6-7-11-14(13)18-17-12-8-4-3-5-9-12;1-2-3(4)5/h2-11H,1H2,(H,16,19);2H,1H2,(H2,4,5)/b18-17+;
InChIKeyYXIIYVLKZVQGAT-ZAGWXBKKSA-N
XLogP3.88
TPSA96.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 21498516
N-(2-phenyldiazenylphenyl)thiophene-2-carboxamide
CID 132506716
diphenyldiazene;urea
CID 175083568
2-phenyldiazenylbenzamide
CID 3752866
N-[2-[[2-(prop-2-enoylamino)phenyl]disulfanyl]phenyl]prop-2-enamide
CID 91082426
N-(2-aminophenyl)prop-2-enamide;ethane;molecular hydrogen
CID 145298068
N-[2-[[(Z)-2-methyl-1-(prop-1-en-2-ylamino)but-2-enylidene]amino]phenyl]prop-2-enamide
CID 144683187
2-(2-phenyldiazenylphenyl)propan-2-yl carbamate
CID 87148092
N-[[amino(phenyl)methylidene]amino]prop-2-enamide
CID 69455899
N-(2-propan-2-ylphenyl)prop-2-enamide
CID 23202677
N-(2-ethynylphenyl)prop-2-enamide
CID 130014031
N-(5-methyl-2-phenyldiazenylphenyl)acetamide
CID 154602849

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyldiazenylphenyl)prop-2-enamide;prop-2-enamide?
The IUPAC name of N-(2-phenyldiazenylphenyl)prop-2-enamide;prop-2-enamide (CID 175273963) is N-(2-phenyldiazenylphenyl)prop-2-enamide;prop-2-enamide.
What is the SMILES notation for N-(2-phenyldiazenylphenyl)prop-2-enamide;prop-2-enamide?
The canonical SMILES for N-(2-phenyldiazenylphenyl)prop-2-enamide;prop-2-enamide is C=CC(=O)Nc1ccccc1/N=N/c1ccccc1.C=CC(N)=O.
What is the InChIKey of N-(2-phenyldiazenylphenyl)prop-2-enamide;prop-2-enamide?
The InChIKey is YXIIYVLKZVQGAT-ZAGWXBKKSA-N. The full InChI is InChI=1S/C15H13N3O.C3H5NO/c1-2-15(19)16-13-10-6-7-11-14(13)18-17-12-8-4-3-5-9-12;1-2-3(4)5/h2-11H,1H2,(H,16,19);2H,1H2,(H2,4,5)/b18-17+;.
What are the key properties of N-(2-phenyldiazenylphenyl)prop-2-enamide;prop-2-enamide?
N-(2-phenyldiazenylphenyl)prop-2-enamide;prop-2-enamide has a molecular weight of 322.37 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyldiazenylphenyl)prop-2-enamide;prop-2-enamide is sourced from PubChem (CID 175273963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).