N-[(Z)-(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide

C15H13N3O6 — CID 136789425

IUPACN-[(Z)-(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)N/N=C\c1cc([N+](=O)[O-])c(O)cc1O
InChIInChI=1S/C15H13N3O6/c19-11-3-1-9(2-4-11)5-15(22)17-16-8-10-6-12(18(23)24)14(21)7-13(10)20/h1-4,6-8,19-21H,5H2,(H,17,22)/b16-8-
InChIKeyIHCNTSGKINLAFT-PXNMLYILSA-N
MW331.28 g/mol
LogP1.40
Rot. Bonds5

About N-[(Z)-(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide

N-[(Z)-(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide (PubChem CID 136789425) has the molecular formula C15H13N3O6 and a molecular weight of 331.28 g/mol. Its IUPAC name is N-[(Z)-(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
PubChem CID136789425
Molecular FormulaC15H13N3O6
Molecular Weight331.28 g/mol
Exact Mass331.08
IUPAC NameN-[(Z)-(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(O)cc1)N/N=C\c1cc([N+](=O)[O-])c(O)cc1O
InChIInChI=1S/C15H13N3O6/c19-11-3-1-9(2-4-11)5-15(22)17-16-8-10-6-12(18(23)24)14(21)7-13(10)20/h1-4,6-8,19-21H,5H2,(H,17,22)/b16-8-
InChIKeyIHCNTSGKINLAFT-PXNMLYILSA-N
XLogP1.40
TPSA145.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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-[(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-3-phenylpropanamide
CID 5063420
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 135627954
2-(4-ethylphenyl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 137180707
N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 44615989
N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 6894812
N-[(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 796751
N-[(Z)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 110515581
N-[(Z)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 136844889
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
CID 137168015
2-(4-chlorophenyl)-N-[(Z)-(5-hydroxy-4-methoxy-2-nitrophenyl)methylideneamino]acetamide
CID 110515806
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 135405790
2-(4-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
CID 137151796

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-[(Z)-(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide (CID 136789425) is N-[(Z)-(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[(Z)-(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-[(Z)-(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide is O=C(Cc1ccc(O)cc1)N/N=C\c1cc([N+](=O)[O-])c(O)cc1O.
What is the InChIKey of N-[(Z)-(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is IHCNTSGKINLAFT-PXNMLYILSA-N. The full InChI is InChI=1S/C15H13N3O6/c19-11-3-1-9(2-4-11)5-15(22)17-16-8-10-6-12(18(23)24)14(21)7-13(10)20/h1-4,6-8,19-21H,5H2,(H,17,22)/b16-8-.
What are the key properties of N-[(Z)-(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide?
N-[(Z)-(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 331.28 g/mol, XLogP of 1.40, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 136789425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).