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

C15H13N3O4 — CID 6861689

IUPAC2-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
SMILESCOc1ccccc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13N3O4/c1-22-14-8-3-2-7-13(14)15(19)17-16-10-11-5-4-6-12(9-11)18(20)21/h2-10H,1H3,(H,17,19)/b16-10+
InChIKeyPKTWGBKIDPYHEH-MHWRWJLKSA-N
MW299.29 g/mol
LogP2.37
Rot. Bonds5

About 2-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide

2-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide (PubChem CID 6861689) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
PubChem CID6861689
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name2-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
SMILESCOc1ccccc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13N3O4/c1-22-14-8-3-2-7-13(14)15(19)17-16-10-11-5-4-6-12(9-11)18(20)21/h2-10H,1H3,(H,17,19)/b16-10+
InChIKeyPKTWGBKIDPYHEH-MHWRWJLKSA-N
XLogP2.37
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-methoxy-N-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6107015
2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
CID 6879661
4-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403791
N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 110505855
2-chloro-4-methyl-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 40963819
N-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide
CID 6897881
4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403564
2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]furan-3-carboxamide
CID 6878666
2-[(2-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 94849409
N-[(3-nitrophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 947524
N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 135589445
2-methoxy-N-[3-(4-nitrophenyl)prop-2-enylideneamino]benzamide
CID 4584749

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 2-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide (CID 6861689) is 2-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide is COc1ccccc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide?
The InChIKey is PKTWGBKIDPYHEH-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-22-14-8-3-2-7-13(14)15(19)17-16-10-11-5-4-6-12(9-11)18(20)21/h2-10H,1H3,(H,17,19)/b16-10+.
What are the key properties of 2-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide?
2-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide has a molecular weight of 299.29 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 6861689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).