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

C15H13N3O4 — CID 5403791

IUPAC4-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H13N3O4/c1-22-14-7-5-12(6-8-14)15(19)17-16-10-11-3-2-4-13(9-11)18(20)21/h2-10H,1H3,(H,17,19)/b16-10-
InChIKeyHSROVYYCGBKLEL-YBEGLDIGSA-N
MW299.29 g/mol
LogP2.37
Rot. Bonds5

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

4-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide (PubChem CID 5403791) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 4-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
PubChem CID5403791
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name4-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H13N3O4/c1-22-14-7-5-12(6-8-14)15(19)17-16-10-11-3-2-4-13(9-11)18(20)21/h2-10H,1H3,(H,17,19)/b16-10-
InChIKeyHSROVYYCGBKLEL-YBEGLDIGSA-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

N-[(3-nitrophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 947524
4-methoxy-N-[2-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4998778
N-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 931984
4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403564
N-[4-[[(E)-(3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-3-nitrobenzamide
CID 46496222
N-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide
CID 6897881
2-(4-methoxyphenoxy)-N-[(3-nitrophenyl)methylideneamino]acetamide
CID 774611
2-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
CID 6861689
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5418227
2-[(4-methoxyphenyl)methyl]-N-[(Z)-(3-nitrophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526578
4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide
CID 913508
4-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]aniline
CID 110509079

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 4-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide (CID 5403791) is 4-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide is COc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide?
The InChIKey is HSROVYYCGBKLEL-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-22-14-7-5-12(6-8-14)15(19)17-16-10-11-3-2-4-13(9-11)18(20)21/h2-10H,1H3,(H,17,19)/b16-10-.
What are the key properties of 4-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide?
4-methoxy-N-[(Z)-(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 4-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 5403791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).