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

C15H12IN3O4 — CID 41290513

IUPAC3-iodo-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N\NC(=O)c2cccc(I)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H12IN3O4/c1-23-14-6-5-10(7-13(14)19(21)22)9-17-18-15(20)11-3-2-4-12(16)8-11/h2-9H,1H3,(H,18,20)/b17-9-
InChIKeyRNMWJKWZABIPFL-MFOYZWKCSA-N
MW425.18 g/mol
LogP2.97
Rot. Bonds5

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

3-iodo-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide (PubChem CID 41290513) has the molecular formula C15H12IN3O4 and a molecular weight of 425.18 g/mol. Its IUPAC name is 3-iodo-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-iodo-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
PubChem CID41290513
Molecular FormulaC15H12IN3O4
Molecular Weight425.18 g/mol
Exact Mass424.99
IUPAC Name3-iodo-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N\NC(=O)c2cccc(I)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H12IN3O4/c1-23-14-6-5-10(7-13(14)19(21)22)9-17-18-15(20)11-3-2-4-12(16)8-11/h2-9H,1H3,(H,18,20)/b17-9-
InChIKeyRNMWJKWZABIPFL-MFOYZWKCSA-N
XLogP2.97
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.18
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-3-iodobenzamide
CID 4042622
N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 2245175
4-fluoro-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 98090583
3,4-dimethoxy-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide
CID 9232133
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 19165666
2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 958341
[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea
CID 71670048
N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 5172323
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 136712161
3-iodo-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
CID 5332346
5-bromo-N-[(4-methoxy-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 3359702
3-hydroxy-N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide
CID 135673815

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 3-iodo-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide (CID 41290513) is 3-iodo-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-iodo-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 3-iodo-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide is COc1ccc(/C=N\NC(=O)c2cccc(I)c2)cc1[N+](=O)[O-].
What is the InChIKey of 3-iodo-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide?
The InChIKey is RNMWJKWZABIPFL-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H12IN3O4/c1-23-14-6-5-10(7-13(14)19(21)22)9-17-18-15(20)11-3-2-4-12(16)8-11/h2-9H,1H3,(H,18,20)/b17-9-.
What are the key properties of 3-iodo-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide?
3-iodo-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide has a molecular weight of 425.18 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 41290513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).