3-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)prop-2-enamide

C21H16N4O3 — CID 5200736

IUPAC3-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)prop-2-enamide
SMILESO=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C21H16N4O3/c26-21(14-9-16-5-4-8-20(15-16)25(27)28)22-17-10-12-19(13-11-17)24-23-18-6-2-1-3-7-18/h1-15H,(H,22,26)/b14-9?,24-23+
InChIKeyGQRIMIDQIJMIFR-DCZYNZETSA-N
MW372.38 g/mol
LogP5.66
Rot. Bonds6

About 3-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)prop-2-enamide

3-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)prop-2-enamide (PubChem CID 5200736) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is 3-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)prop-2-enamide
PubChem CID5200736
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Name3-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)prop-2-enamide
SMILESO=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C21H16N4O3/c26-21(14-9-16-5-4-8-20(15-16)25(27)28)22-17-10-12-19(13-11-17)24-23-18-6-2-1-3-7-18/h1-15H,(H,22,26)/b14-9?,24-23+
InChIKeyGQRIMIDQIJMIFR-DCZYNZETSA-N
XLogP5.66
TPSA96.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.38
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-nitrophenyl)-N-[3-[3-(3-nitrophenyl)prop-2-enoylamino]-4-phenyldiazenylphenyl]prop-2-enamide
CID 4192705
(E)-N-(4-anilinophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 6266202
(E)-3-(3-nitrophenyl)-N-[4-(phenylcarbamoylamino)phenyl]prop-2-enamide
CID 18284824
(E)-3-(3-nitrophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5374478
N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 692314
(Z)-N-(4-fluorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 2165621
(Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide
CID 92909984
3-[3-(3-nitrophenyl)prop-2-enoylamino]benzoic acid
CID 54024804
N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]phenyl]butanamide
CID 17202592
(E)-3-(3-nitrophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]prop-2-enamide
CID 38175952
3-(3-nitrophenyl)-N-(phenylcarbamothioyl)prop-2-enamide
CID 884662
N-[4-[3-(3-nitrophenyl)prop-2-enoylamino]phenyl]-1-benzofuran-2-carboxamide
CID 3893635

Frequently Asked Questions

What is the IUPAC name of 3-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)prop-2-enamide?
The IUPAC name of 3-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)prop-2-enamide (CID 5200736) is 3-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)prop-2-enamide?
The canonical SMILES for 3-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)prop-2-enamide is O=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 3-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)prop-2-enamide?
The InChIKey is GQRIMIDQIJMIFR-DCZYNZETSA-N. The full InChI is InChI=1S/C21H16N4O3/c26-21(14-9-16-5-4-8-20(15-16)25(27)28)22-17-10-12-19(13-11-17)24-23-18-6-2-1-3-7-18/h1-15H,(H,22,26)/b14-9?,24-23+.
What are the key properties of 3-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)prop-2-enamide?
3-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)prop-2-enamide has a molecular weight of 372.38 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitrophenyl)-N-(4-phenyldiazenylphenyl)prop-2-enamide is sourced from PubChem (CID 5200736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).