3-iodo-4-methoxy-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide

C18H19IN2O5 — CID 6117559

IUPAC3-iodo-4-methoxy-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\c2cc(OC)c(OC)c(OC)c2)cc1I
InChIInChI=1S/C18H19IN2O5/c1-23-14-6-5-12(9-13(14)19)18(22)21-20-10-11-7-15(24-2)17(26-4)16(8-11)25-3/h5-10H,1-4H3,(H,21,22)/b20-10-
InChIKeyDUFPQKHEUJTFIA-JMIUGGIZSA-N
MW470.26 g/mol
LogP3.09
Rot. Bonds7

About 3-iodo-4-methoxy-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide

3-iodo-4-methoxy-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide (PubChem CID 6117559) has the molecular formula C18H19IN2O5 and a molecular weight of 470.26 g/mol. Its IUPAC name is 3-iodo-4-methoxy-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-iodo-4-methoxy-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
PubChem CID6117559
Molecular FormulaC18H19IN2O5
Molecular Weight470.26 g/mol
Exact Mass470.03
IUPAC Name3-iodo-4-methoxy-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\c2cc(OC)c(OC)c(OC)c2)cc1I
InChIInChI=1S/C18H19IN2O5/c1-23-14-6-5-12(9-13(14)19)18(22)21-20-10-11-7-15(24-2)17(26-4)16(8-11)25-3/h5-10H,1-4H3,(H,21,22)/b20-10-
InChIKeyDUFPQKHEUJTFIA-JMIUGGIZSA-N
XLogP3.09
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.26
LogP ≤ 53.09
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 5335848
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 135559989
4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 769086
4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6013916
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6321940
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 136697673
4-bromo-N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]benzamide
CID 5339727
3-ethoxy-N-[(E)-(3-iodo-5-methoxy-4-propoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 126329810
2-sulfanylidene-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-dihydrobenzimidazole-5-carboxamide
CID 110522957
4-ethoxy-N-[(E)-(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 126329471
3-ethoxy-N-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 126320076
N-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 6117681

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methoxy-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-iodo-4-methoxy-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide (CID 6117559) is 3-iodo-4-methoxy-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-iodo-4-methoxy-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-iodo-4-methoxy-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide is COc1ccc(C(=O)N/N=C\c2cc(OC)c(OC)c(OC)c2)cc1I.
What is the InChIKey of 3-iodo-4-methoxy-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide?
The InChIKey is DUFPQKHEUJTFIA-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H19IN2O5/c1-23-14-6-5-12(9-13(14)19)18(22)21-20-10-11-7-15(24-2)17(26-4)16(8-11)25-3/h5-10H,1-4H3,(H,21,22)/b20-10-.
What are the key properties of 3-iodo-4-methoxy-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide?
3-iodo-4-methoxy-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide has a molecular weight of 470.26 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methoxy-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6117559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).