2-amino-N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide

C15H14N4O5 — CID 136926351

IUPAC2-amino-N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide
SMILESCOc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2ccccc2N)c1O
InChIInChI=1S/C15H14N4O5/c1-24-13-7-10(19(22)23)6-9(14(13)20)8-17-18-15(21)11-4-2-3-5-12(11)16/h2-8,20H,16H2,1H3,(H,18,21)/b17-8-
InChIKeyCNXVSRWOIPSEEY-IUXPMGMMSA-N
MW330.30 g/mol
LogP1.66
Rot. Bonds5

About 2-amino-N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide

2-amino-N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide (PubChem CID 136926351) has the molecular formula C15H14N4O5 and a molecular weight of 330.30 g/mol. Its IUPAC name is 2-amino-N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide
PubChem CID136926351
Molecular FormulaC15H14N4O5
Molecular Weight330.30 g/mol
Exact Mass330.10
IUPAC Name2-amino-N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide
SMILESCOc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2ccccc2N)c1O
InChIInChI=1S/C15H14N4O5/c1-24-13-7-10(19(22)23)6-9(14(13)20)8-17-18-15(21)11-4-2-3-5-12(11)16/h2-8,20H,16H2,1H3,(H,18,21)/b17-8-
InChIKeyCNXVSRWOIPSEEY-IUXPMGMMSA-N
XLogP1.66
TPSA140.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

2-amino-N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136926350
N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 136712197
N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 137168358
2-chloro-N-[4-[[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 3923185
2-amino-N-[(E)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 75123915
N-[(Z)-(2-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 137083503
2-methoxy-4-nitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 136733461
1-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-3-phenylthiourea
CID 135667293
N-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 3616787
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 135628735
4-bromo-N-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 3267873
2-amino-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 110337136

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 2-amino-N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide (CID 136926351) is 2-amino-N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-amino-N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-amino-N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide is COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2ccccc2N)c1O.
What is the InChIKey of 2-amino-N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide?
The InChIKey is CNXVSRWOIPSEEY-IUXPMGMMSA-N. The full InChI is InChI=1S/C15H14N4O5/c1-24-13-7-10(19(22)23)6-9(14(13)20)8-17-18-15(21)11-4-2-3-5-12(11)16/h2-8,20H,16H2,1H3,(H,18,21)/b17-8-.
What are the key properties of 2-amino-N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide?
2-amino-N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide has a molecular weight of 330.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 136926351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).