N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-methoxybenzamide

C15H13N3O5 — CID 135688204

IUPACN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C15H13N3O5/c1-23-13-5-2-10(3-6-13)15(20)17-16-9-11-8-12(18(21)22)4-7-14(11)19/h2-9,19H,1H3,(H,17,20)/b16-9+
InChIKeyFDYOQGUQCSELOI-CXUHLZMHSA-N
MW315.29 g/mol
LogP2.07
Rot. Bonds5

About N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-methoxybenzamide

N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-methoxybenzamide (PubChem CID 135688204) has the molecular formula C15H13N3O5 and a molecular weight of 315.29 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-methoxybenzamide
PubChem CID135688204
Molecular FormulaC15H13N3O5
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C15H13N3O5/c1-23-13-5-2-10(3-6-13)15(20)17-16-9-11-8-12(18(21)22)4-7-14(11)19/h2-9,19H,1H3,(H,17,20)/b16-9+
InChIKeyFDYOQGUQCSELOI-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

Nifuroxazide
CID 5337997
Benzoic acid, 4-hydroxy-, [(5-nitro-2-furanyl)methylene]hydrazide
CID 13764
N'-(4-Hydroxy-3-methoxybenzylidene)-3-nitrobenzohydrazide
CID 86261405
3-Nitro-benzoic acid (2-hydroxy-benzylidene)-hydrazide
CID 3094002
Pkumdl-WQ-2101
CID 135403154
N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 6883246
Nifuroxazide EP Impurity E
CID 5390108
Salicylaldehyde p-Methoxyphenyl-acyl hydrazone
CID 135648352
4-Hydroxy-N'-(2-methoxybenzylidene)benzohydrazide
CID 9689410
N'-(2-hydroxy-5-nitrobenzylidene)-4-nitrobenzohydrazide
CID 86261394
N'-(2-Hydroxy-3-methoxybenzylidene)-4-nitrobenzohydrazide
CID 135648354
4-ethoxy-N'-{2-nitrobenzylidene}benzohydrazide
CID 5332371

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-methoxybenzamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-methoxybenzamide (CID 135688204) is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-methoxybenzamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-methoxybenzamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-methoxybenzamide is COc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1.
What is the InChIKey of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-methoxybenzamide?
The InChIKey is FDYOQGUQCSELOI-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H13N3O5/c1-23-13-5-2-10(3-6-13)15(20)17-16-9-11-8-12(18(21)22)4-7-14(11)19/h2-9,19H,1H3,(H,17,20)/b16-9+.
What are the key properties of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-methoxybenzamide?
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-4-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-5-nitrophenyl)methylideneamino]-4-methoxybenzamide is sourced from PubChem (CID 135688204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).