N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide

C15H13N3O4 — CID 135643363

IUPACN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C15H13N3O4/c19-14-7-6-13(18(21)22)9-12(14)10-16-17-15(20)8-11-4-2-1-3-5-11/h1-7,9-10,19H,8H2,(H,17,20)/b16-10+
InChIKeyYADCQTBJYQWOLZ-MHWRWJLKSA-N
MW299.29 g/mol
LogP1.99
Rot. Bonds5

About N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide

N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide (PubChem CID 135643363) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide
PubChem CID135643363
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C15H13N3O4/c19-14-7-6-13(18(21)22)9-12(14)10-16-17-15(20)8-11-4-2-1-3-5-11/h1-7,9-10,19H,8H2,(H,17,20)/b16-10+
InChIKeyYADCQTBJYQWOLZ-MHWRWJLKSA-N
XLogP1.99
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide (CID 135643363) is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide is O=C(Cc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide?
The InChIKey is YADCQTBJYQWOLZ-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H13N3O4/c19-14-7-6-13(18(21)22)9-12(14)10-16-17-15(20)8-11-4-2-1-3-5-11/h1-7,9-10,19H,8H2,(H,17,20)/b16-10+.
What are the key properties of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide?
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide has a molecular weight of 299.29 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 135643363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).