2-anilino-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]acetamide

C16H16N4O5 — CID 136713274

IUPAC2-anilino-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]acetamide
SMILESCOc1c(O)ccc(/C=N\NC(=O)CNc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C16H16N4O5/c1-25-16-13(21)8-7-11(15(16)20(23)24)9-18-19-14(22)10-17-12-5-3-2-4-6-12/h2-9,17,21H,10H2,1H3,(H,19,22)/b18-9-
InChIKeySHGFAMLKFCKJQO-NVMNQCDNSA-N
MW344.33 g/mol
LogP1.87
Rot. Bonds7

About 2-anilino-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]acetamide

2-anilino-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]acetamide (PubChem CID 136713274) has the molecular formula C16H16N4O5 and a molecular weight of 344.33 g/mol. Its IUPAC name is 2-anilino-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]acetamide
PubChem CID136713274
Molecular FormulaC16H16N4O5
Molecular Weight344.33 g/mol
Exact Mass344.11
IUPAC Name2-anilino-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]acetamide
SMILESCOc1c(O)ccc(/C=N\NC(=O)CNc2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C16H16N4O5/c1-25-16-13(21)8-7-11(15(16)20(23)24)9-18-19-14(22)10-17-12-5-3-2-4-6-12/h2-9,17,21H,10H2,1H3,(H,19,22)/b18-9-
InChIKeySHGFAMLKFCKJQO-NVMNQCDNSA-N
XLogP1.87
TPSA126.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 135590228
methyl N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]carbamate
CID 135642261
2-anilino-N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]acetamide
CID 126393565
2-anilino-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 136662896
2-fluoro-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]benzamide
CID 136713263
2-bromo-N-[(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]benzamide
CID 5221526
2-methoxy-3-nitro-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 135589413
2-anilino-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136867320
2-anilino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135679320
2-anilino-N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]acetamide
CID 136736930
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 135479340
2-anilino-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 7638625

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-anilino-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]acetamide (CID 136713274) is 2-anilino-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-anilino-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-anilino-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]acetamide is COc1c(O)ccc(/C=N\NC(=O)CNc2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of 2-anilino-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]acetamide?
The InChIKey is SHGFAMLKFCKJQO-NVMNQCDNSA-N. The full InChI is InChI=1S/C16H16N4O5/c1-25-16-13(21)8-7-11(15(16)20(23)24)9-18-19-14(22)10-17-12-5-3-2-4-6-12/h2-9,17,21H,10H2,1H3,(H,19,22)/b18-9-.
What are the key properties of 2-anilino-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]acetamide?
2-anilino-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]acetamide has a molecular weight of 344.33 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(Z)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 136713274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).