3-iodo-4-methoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide

C15H12IN3O4 — CID 6117441

IUPAC3-iodo-4-methoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\c2ccccc2[N+](=O)[O-])cc1I
InChIInChI=1S/C15H12IN3O4/c1-23-14-7-6-10(8-12(14)16)15(20)18-17-9-11-4-2-3-5-13(11)19(21)22/h2-9H,1H3,(H,18,20)/b17-9-
InChIKeyKXBOWUHHDVYWRJ-MFOYZWKCSA-N
MW425.18 g/mol
LogP2.97
Rot. Bonds5

About 3-iodo-4-methoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide

3-iodo-4-methoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide (PubChem CID 6117441) has the molecular formula C15H12IN3O4 and a molecular weight of 425.18 g/mol. Its IUPAC name is 3-iodo-4-methoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-iodo-4-methoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
PubChem CID6117441
Molecular FormulaC15H12IN3O4
Molecular Weight425.18 g/mol
Exact Mass424.99
IUPAC Name3-iodo-4-methoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\c2ccccc2[N+](=O)[O-])cc1I
InChIInChI=1S/C15H12IN3O4/c1-23-14-7-6-10(8-12(14)16)15(20)18-17-9-11-4-2-3-5-13(11)19(21)22/h2-9H,1H3,(H,18,20)/b17-9-
InChIKeyKXBOWUHHDVYWRJ-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-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 6117681
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 136697673
3,4,5-trimethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 5435097
3,4,5-trimethoxy-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
CID 6875972
3-iodo-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
CID 5332346
N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 6872935
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 6117439
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-3-iodobenzamide
CID 4042622
N-[(2-methoxyphenyl)methylideneamino]-3,5-dinitrobenzamide
CID 3090224
3-iodo-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 41290513
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-4-phenylbenzamide
CID 1010029
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 135931429

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 3-iodo-4-methoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide (CID 6117441) is 3-iodo-4-methoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-iodo-4-methoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 3-iodo-4-methoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide is COc1ccc(C(=O)N/N=C\c2ccccc2[N+](=O)[O-])cc1I.
What is the InChIKey of 3-iodo-4-methoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide?
The InChIKey is KXBOWUHHDVYWRJ-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H12IN3O4/c1-23-14-7-6-10(8-12(14)16)15(20)18-17-9-11-4-2-3-5-13(11)19(21)22/h2-9H,1H3,(H,18,20)/b17-9-.
What are the key properties of 3-iodo-4-methoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide?
3-iodo-4-methoxy-N-[(Z)-(2-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-4-methoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 6117441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).