4-hydroxy-3-methoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide

C15H13N3O5 — CID 71537756

IUPAC4-hydroxy-3-methoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide
SMILESCOc1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)ccc1O
InChIInChI=1S/C15H13N3O5/c1-23-14-8-11(4-7-13(14)19)15(20)17-16-9-10-2-5-12(6-3-10)18(21)22/h2-9,19H,1H3,(H,17,20)/b16-9+
InChIKeyODCWEKGUVQBFOR-CXUHLZMHSA-N
MW315.29 g/mol
LogP2.07
Rot. Bonds5

About 4-hydroxy-3-methoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide

4-hydroxy-3-methoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide (PubChem CID 71537756) has the molecular formula C15H13N3O5 and a molecular weight of 315.29 g/mol. Its IUPAC name is 4-hydroxy-3-methoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-3-methoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide
PubChem CID71537756
Molecular FormulaC15H13N3O5
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC Name4-hydroxy-3-methoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide
SMILESCOc1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)ccc1O
InChIInChI=1S/C15H13N3O5/c1-23-14-8-11(4-7-13(14)19)15(20)17-16-9-10-2-5-12(6-3-10)18(21)22/h2-9,19H,1H3,(H,17,20)/b16-9+
InChIKeyODCWEKGUVQBFOR-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': '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-[(3,4-dimethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 771719
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512
N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 2245175
N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 5172323
3-methoxy-N-[(E)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 126327410
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-4-nitrobenzamide
CID 135420166
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
CID 4002276
N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 136712197
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 135559989
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 5418193
N-[(E)-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126329395
N-[(E)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126317827

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 4-hydroxy-3-methoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide (CID 71537756) is 4-hydroxy-3-methoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-3-methoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-3-methoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide is COc1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)ccc1O.
What is the InChIKey of 4-hydroxy-3-methoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide?
The InChIKey is ODCWEKGUVQBFOR-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H13N3O5/c1-23-14-8-11(4-7-13(14)19)15(20)17-16-9-10-2-5-12(6-3-10)18(21)22/h2-9,19H,1H3,(H,17,20)/b16-9+.
What are the key properties of 4-hydroxy-3-methoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide?
4-hydroxy-3-methoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide 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 4-hydroxy-3-methoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 71537756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).