N-[(Z)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-3-hydroxy-4-iodobenzamide

C17H14IN3O4 — CID 6153602

IUPACN-[(Z)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-3-hydroxy-4-iodobenzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccc(I)c(O)c2)ccc1OCC#N
InChIInChI=1S/C17H14IN3O4/c1-24-16-8-11(2-5-15(16)25-7-6-19)10-20-21-17(23)12-3-4-13(18)14(22)9-12/h2-5,8-10,22H,7H2,1H3,(H,21,23)/b20-10-
InChIKeyIYPKKZQBTYTYTG-JMIUGGIZSA-N
MW451.22 g/mol
LogP2.67
Rot. Bonds6

About N-[(Z)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-3-hydroxy-4-iodobenzamide

N-[(Z)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-3-hydroxy-4-iodobenzamide (PubChem CID 6153602) has the molecular formula C17H14IN3O4 and a molecular weight of 451.22 g/mol. Its IUPAC name is N-[(Z)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-3-hydroxy-4-iodobenzamide.

Molecular Properties

Compound NameN-[(Z)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-3-hydroxy-4-iodobenzamide
PubChem CID6153602
Molecular FormulaC17H14IN3O4
Molecular Weight451.22 g/mol
Exact Mass451.00
IUPAC NameN-[(Z)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-3-hydroxy-4-iodobenzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccc(I)c(O)c2)ccc1OCC#N
InChIInChI=1S/C17H14IN3O4/c1-24-16-8-11(2-5-15(16)25-7-6-19)10-20-21-17(23)12-3-4-13(18)14(22)9-12/h2-5,8-10,22H,7H2,1H3,(H,21,23)/b20-10-
InChIKeyIYPKKZQBTYTYTG-JMIUGGIZSA-N
XLogP2.67
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.22
LogP ≤ 52.67
H-Bond Donors ≤ 52
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

N-[(E)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide
CID 46804638
3-bromo-N-[[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]benzamide
CID 3886581
5-[[4-[(Z)-[(3-hydroxy-4-iodobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid
CID 126390014
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 135559989
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
N-[(E)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6910713
4-bromo-N-[(Z)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-1H-pyrrole-2-carboxamide
CID 8982987
N-[(E)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 55352186
(2S)-2-[4-[(E)-[(4-iodo-3-methoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]propanoic acid
CID 126022726
2-(4-bromophenoxy)-N-[[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]acetamide
CID 3996217
N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-3-methylbenzamide
CID 3293979

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-3-hydroxy-4-iodobenzamide?
The IUPAC name of N-[(Z)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-3-hydroxy-4-iodobenzamide (CID 6153602) is N-[(Z)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-3-hydroxy-4-iodobenzamide.
What is the SMILES notation for N-[(Z)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-3-hydroxy-4-iodobenzamide?
The canonical SMILES for N-[(Z)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-3-hydroxy-4-iodobenzamide is COc1cc(/C=N\NC(=O)c2ccc(I)c(O)c2)ccc1OCC#N.
What is the InChIKey of N-[(Z)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-3-hydroxy-4-iodobenzamide?
The InChIKey is IYPKKZQBTYTYTG-JMIUGGIZSA-N. The full InChI is InChI=1S/C17H14IN3O4/c1-24-16-8-11(2-5-15(16)25-7-6-19)10-20-21-17(23)12-3-4-13(18)14(22)9-12/h2-5,8-10,22H,7H2,1H3,(H,21,23)/b20-10-.
What are the key properties of N-[(Z)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-3-hydroxy-4-iodobenzamide?
N-[(Z)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-3-hydroxy-4-iodobenzamide has a molecular weight of 451.22 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-3-hydroxy-4-iodobenzamide is sourced from PubChem (CID 6153602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).