N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide

C17H16IN3O5 — CID 41301188

IUPACN-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
SMILESCOc1ccc(/C=N\NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1I
InChIInChI=1S/C17H16IN3O5/c1-11-3-5-16(14(7-11)21(23)24)26-10-17(22)20-19-9-12-4-6-15(25-2)13(18)8-12/h3-9H,10H2,1-2H3,(H,20,22)/b19-9-
InChIKeyORQXZBJROAYGIB-OCKHKDLRSA-N
MW469.24 g/mol
LogP3.05
Rot. Bonds7

About N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide

N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide (PubChem CID 41301188) has the molecular formula C17H16IN3O5 and a molecular weight of 469.24 g/mol. Its IUPAC name is N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
PubChem CID41301188
Molecular FormulaC17H16IN3O5
Molecular Weight469.24 g/mol
Exact Mass469.01
IUPAC NameN-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
SMILESCOc1ccc(/C=N\NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1I
InChIInChI=1S/C17H16IN3O5/c1-11-3-5-16(14(7-11)21(23)24)26-10-17(22)20-19-9-12-4-6-15(25-2)13(18)8-12/h3-9H,10H2,1-2H3,(H,20,22)/b19-9-
InChIKeyORQXZBJROAYGIB-OCKHKDLRSA-N
XLogP3.05
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.24
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 135589998
[2-methoxy-4-[(Z)-[[2-(4-methyl-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 41031518
N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5448423
N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 136882181
2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 41031515
N-[(E)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 135590024
4-[(E)-[[2-(2,5-dimethylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate
CID 6898631
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide
CID 19165668
2-(2,3-dimethylphenoxy)-N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]acetamide
CID 6092676
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide
CID 19182437
N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 136755616
2-(4-methyl-2-nitrophenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 1245758

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
The IUPAC name of N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide (CID 41301188) is N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide is COc1ccc(/C=N\NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1I.
What is the InChIKey of N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
The InChIKey is ORQXZBJROAYGIB-OCKHKDLRSA-N. The full InChI is InChI=1S/C17H16IN3O5/c1-11-3-5-16(14(7-11)21(23)24)26-10-17(22)20-19-9-12-4-6-15(25-2)13(18)8-12/h3-9H,10H2,1-2H3,(H,20,22)/b19-9-.
What are the key properties of N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide has a molecular weight of 469.24 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide is sourced from PubChem (CID 41301188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).