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

C15H14N4O4 — CID 135821460

IUPAC2-anilino-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C15H14N4O4/c20-14-7-6-13(19(22)23)8-11(14)9-17-18-15(21)10-16-12-4-2-1-3-5-12/h1-9,16,20H,10H2,(H,18,21)/b17-9+
InChIKeySBRBFEMLSQHVQZ-RQZCQDPDSA-N
MW314.30 g/mol
LogP1.86
Rot. Bonds6

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

2-anilino-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide (PubChem CID 135821460) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is 2-anilino-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
PubChem CID135821460
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name2-anilino-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C15H14N4O4/c20-14-7-6-13(19(22)23)8-11(14)9-17-18-15(21)10-16-12-4-2-1-3-5-12/h1-9,16,20H,10H2,(H,18,21)/b17-9+
InChIKeySBRBFEMLSQHVQZ-RQZCQDPDSA-N
XLogP1.86
TPSA116.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 2-anilino-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-anilino-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide (CID 135821460) is 2-anilino-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-anilino-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-anilino-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide is O=C(CNc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-anilino-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The InChIKey is SBRBFEMLSQHVQZ-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H14N4O4/c20-14-7-6-13(19(22)23)8-11(14)9-17-18-15(21)10-16-12-4-2-1-3-5-12/h1-9,16,20H,10H2,(H,18,21)/b17-9+.
What are the key properties of 2-anilino-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
2-anilino-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide has a molecular weight of 314.30 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 135821460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).