N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide

C15H13N3O5 — CID 135589445

IUPACN-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C15H13N3O5/c1-23-13-8-3-2-6-11(13)15(20)17-16-9-10-5-4-7-12(14(10)19)18(21)22/h2-9,19H,1H3,(H,17,20)/b16-9+
InChIKeyHRJNVKGFSWLKER-CXUHLZMHSA-N
MW315.29 g/mol
LogP2.07
Rot. Bonds5

About N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide

N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide (PubChem CID 135589445) has the molecular formula C15H13N3O5 and a molecular weight of 315.29 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide
PubChem CID135589445
Molecular FormulaC15H13N3O5
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC NameN-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C15H13N3O5/c1-23-13-8-3-2-6-11(13)15(20)17-16-9-10-5-4-7-12(14(10)19)18(21)22/h2-9,19H,1H3,(H,17,20)/b16-9+
InChIKeyHRJNVKGFSWLKER-CXUHLZMHSA-N
XLogP2.07
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
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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Related Compounds

N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 135628735
N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-methoxybenzamide
CID 137122813
N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 137076513
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-methyl-3-nitrobenzamide
CID 94847959
N-[(2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3470891
2-methoxy-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide
CID 6042961
2-methoxy-N-[2-[2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4007452
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3632483
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 135717463
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
3,4,5-trihydroxy-N-[(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 4863381
N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 137173396

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide (CID 135589445) is N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide is COc1ccccc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide?
The InChIKey is HRJNVKGFSWLKER-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H13N3O5/c1-23-13-8-3-2-6-11(13)15(20)17-16-9-10-5-4-7-12(14(10)19)18(21)22/h2-9,19H,1H3,(H,17,20)/b16-9+.
What are the key properties of N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide?
N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide has a molecular weight of 315.29 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide is sourced from PubChem (CID 135589445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).