N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide

C15H13N3O5 — CID 135716312

IUPACN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c1
InChIInChI=1S/C15H13N3O5/c1-23-13-4-2-3-10(8-13)15(20)17-16-9-11-7-12(18(21)22)5-6-14(11)19/h2-9,19H,1H3,(H,17,20)/b16-9+
InChIKeyJFHLWGSMWUDRLZ-CXUHLZMHSA-N
MW315.29 g/mol
LogP2.07
Rot. Bonds5

About N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide

N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide (PubChem CID 135716312) 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]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide
PubChem CID135716312
Molecular FormulaC15H13N3O5
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC NameN-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c1
InChIInChI=1S/C15H13N3O5/c1-23-13-4-2-3-10(8-13)15(20)17-16-9-11-7-12(18(21)22)5-6-14(11)19/h2-9,19H,1H3,(H,17,20)/b16-9+
InChIKeyJFHLWGSMWUDRLZ-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'}

Analyze N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 137118711
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-[(3-nitrobenzoyl)amino]benzamide
CID 135957408
[2-[(E)-(benzoylhydrazinylidene)methyl]-4-nitrophenyl] 3-methoxybenzoate
CID 126230398
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 136712161
N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 137076513
N-[(2,5-dimethoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 3949968
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 5373886
methyl N-[(2-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 3681346
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 136912782
4-acetamido-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 136662978
N-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 931984
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methoxy-1-methylindole-2-carboxamide
CID 135842066

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide (CID 135716312) is N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide is COc1cccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c1.
What is the InChIKey of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide?
The InChIKey is JFHLWGSMWUDRLZ-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H13N3O5/c1-23-13-4-2-3-10(8-13)15(20)17-16-9-11-7-12(18(21)22)5-6-14(11)19/h2-9,19H,1H3,(H,17,20)/b16-9+.
What are the key properties of N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide?
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-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]-3-methoxybenzamide is sourced from PubChem (CID 135716312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).