4-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(4-phenylphenyl)methylideneamino]benzamide

C23H19N3O3 — CID 123393502

IUPAC4-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(4-phenylphenyl)methylideneamino]benzamide
SMILESO=C(C=Cc1ccc(C(=O)NN=Cc2ccc(-c3ccccc3)cc2)cc1)NO
InChIInChI=1S/C23H19N3O3/c27-22(26-29)15-10-17-6-13-21(14-7-17)23(28)25-24-16-18-8-11-20(12-9-18)19-4-2-1-3-5-19/h1-16,29H,(H,25,28)(H,26,27)
InChIKeyWWFPFEUVLHHJTG-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.64
Rot. Bonds6

About 4-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(4-phenylphenyl)methylideneamino]benzamide

4-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(4-phenylphenyl)methylideneamino]benzamide (PubChem CID 123393502) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(4-phenylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(4-phenylphenyl)methylideneamino]benzamide
PubChem CID123393502
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name4-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(4-phenylphenyl)methylideneamino]benzamide
SMILESO=C(C=Cc1ccc(C(=O)NN=Cc2ccc(-c3ccccc3)cc2)cc1)NO
InChIInChI=1S/C23H19N3O3/c27-22(26-29)15-10-17-6-13-21(14-7-17)23(28)25-24-16-18-8-11-20(12-9-18)19-4-2-1-3-5-19/h1-16,29H,(H,25,28)(H,26,27)
InChIKeyWWFPFEUVLHHJTG-UHFFFAOYSA-N
XLogP3.64
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136661498
4-N-hydroxy-1-N-[(E)-[4-[4-[(E)-[[4-(hydroxycarbamoyl)benzoyl]hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 135613044
2-[(E)-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzoyl]hydrazinylidene]methyl]benzoic acid
CID 88862031
N-[(E)-(2-bromophenyl)methylideneamino]-4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 88863764
N-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide
CID 681341
N-[(E)-(5-bromofuran-2-yl)methylideneamino]-4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 88863853
3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzamide
CID 123812830
3-bromo-N-[(4-phenylphenyl)methylideneamino]benzamide
CID 2828054
N-[(3-ethenylphenyl)methylideneamino]-4-phenylbenzamide
CID 75306202
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-[(E)-3-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-3-oxoprop-1-enyl]benzamide
CID 89119525
N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide
CID 45048078
N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-phenylbenzamide
CID 24819612

Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(4-phenylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(4-phenylphenyl)methylideneamino]benzamide (CID 123393502) is 4-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(4-phenylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(4-phenylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(4-phenylphenyl)methylideneamino]benzamide is O=C(C=Cc1ccc(C(=O)NN=Cc2ccc(-c3ccccc3)cc2)cc1)NO.
What is the InChIKey of 4-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(4-phenylphenyl)methylideneamino]benzamide?
The InChIKey is WWFPFEUVLHHJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c27-22(26-29)15-10-17-6-13-21(14-7-17)23(28)25-24-16-18-8-11-20(12-9-18)19-4-2-1-3-5-19/h1-16,29H,(H,25,28)(H,26,27).
What are the key properties of 4-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(4-phenylphenyl)methylideneamino]benzamide?
4-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(4-phenylphenyl)methylideneamino]benzamide has a molecular weight of 385.42 g/mol, XLogP of 3.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(4-phenylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 123393502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).