N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-N-phenylpropanediamide

C16H14N4O5 — CID 4567494

IUPACN'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-N-phenylpropanediamide
SMILESO=C(CC(=O)Nc1ccccc1)NN=Cc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14N4O5/c21-14-7-6-11(8-13(14)20(24)25)10-17-19-16(23)9-15(22)18-12-4-2-1-3-5-12/h1-8,10,21H,9H2,(H,18,22)(H,19,23)
InChIKeyPWYXPNKFFNOHQP-UHFFFAOYSA-N
MW342.31 g/mol
LogP1.78
Rot. Bonds6

About N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-N-phenylpropanediamide

N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-N-phenylpropanediamide (PubChem CID 4567494) has the molecular formula C16H14N4O5 and a molecular weight of 342.31 g/mol. Its IUPAC name is N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-N-phenylpropanediamide.

Molecular Properties

Compound NameN'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-N-phenylpropanediamide
PubChem CID4567494
Molecular FormulaC16H14N4O5
Molecular Weight342.31 g/mol
Exact Mass342.10
IUPAC NameN'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-N-phenylpropanediamide
SMILESO=C(CC(=O)Nc1ccccc1)NN=Cc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14N4O5/c21-14-7-6-11(8-13(14)20(24)25)10-17-19-16(23)9-15(22)18-12-4-2-1-3-5-12/h1-8,10,21H,9H2,(H,18,22)(H,19,23)
InChIKeyPWYXPNKFFNOHQP-UHFFFAOYSA-N
XLogP1.78
TPSA133.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 135842138
N-(2-fluorophenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide
CID 135821567
N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 3653365
N-(4-ethoxyphenyl)-N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide
CID 4684439
N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide
CID 136699135
N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135684451
N'-[(4-methyl-3-nitrophenyl)methylideneamino]-N-(4-methylphenyl)propanediamide
CID 4033368
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenylpropanediamide
CID 135613940
2-hydroxy-N-[2-[(2Z)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135750575
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 135405790
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 137156037
N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 44615989

Frequently Asked Questions

What is the IUPAC name of N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-N-phenylpropanediamide?
The IUPAC name of N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-N-phenylpropanediamide (CID 4567494) is N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-N-phenylpropanediamide.
What is the SMILES notation for N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-N-phenylpropanediamide?
The canonical SMILES for N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-N-phenylpropanediamide is O=C(CC(=O)Nc1ccccc1)NN=Cc1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-N-phenylpropanediamide?
The InChIKey is PWYXPNKFFNOHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O5/c21-14-7-6-11(8-13(14)20(24)25)10-17-19-16(23)9-15(22)18-12-4-2-1-3-5-12/h1-8,10,21H,9H2,(H,18,22)(H,19,23).
What are the key properties of N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-N-phenylpropanediamide?
N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-N-phenylpropanediamide has a molecular weight of 342.31 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-N-phenylpropanediamide is sourced from PubChem (CID 4567494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).