2-hydroxy-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-5-nitrobenzamide

C16H14IN3O6 — CID 6265393

IUPAC2-hydroxy-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-5-nitrobenzamide
SMILESCOc1cc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(I)c1OC
InChIInChI=1S/C16H14IN3O6/c1-25-14-6-9(5-12(17)15(14)26-2)8-18-19-16(22)11-7-10(20(23)24)3-4-13(11)21/h3-8,21H,1-2H3,(H,19,22)/b18-8-
InChIKeyYECCPRYJOKEHLB-LSCVHKIXSA-N
MW471.21 g/mol
LogP2.69
Rot. Bonds6

About 2-hydroxy-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-5-nitrobenzamide

2-hydroxy-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-5-nitrobenzamide (PubChem CID 6265393) has the molecular formula C16H14IN3O6 and a molecular weight of 471.21 g/mol. Its IUPAC name is 2-hydroxy-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-5-nitrobenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-5-nitrobenzamide
PubChem CID6265393
Molecular FormulaC16H14IN3O6
Molecular Weight471.21 g/mol
Exact Mass470.99
IUPAC Name2-hydroxy-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-5-nitrobenzamide
SMILESCOc1cc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(I)c1OC
InChIInChI=1S/C16H14IN3O6/c1-25-14-6-9(5-12(17)15(14)26-2)8-18-19-16(22)11-7-10(20(23)24)3-4-13(11)21/h3-8,21H,1-2H3,(H,19,22)/b18-8-
InChIKeyYECCPRYJOKEHLB-LSCVHKIXSA-N
XLogP2.69
TPSA123.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.21
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide
CID 136844887
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide
CID 126054390
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-2-methoxy-5-nitrobenzamide
CID 126274749
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide
CID 136664184
N-[(E)-[3-iodo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657835
2-bromo-N-[(E)-[3-iodo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245274
2-chloro-N-[(Z)-[3-iodo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126060470
2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide
CID 3358963
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-hydroxy-5-nitrobenzamide
CID 137170315
N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 110505855
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-chloro-4-nitrobenzamide
CID 135468612
N-[(Z)-[3-iodo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126156174

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-5-nitrobenzamide?
The IUPAC name of 2-hydroxy-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-5-nitrobenzamide (CID 6265393) is 2-hydroxy-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-5-nitrobenzamide.
What is the SMILES notation for 2-hydroxy-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-5-nitrobenzamide?
The canonical SMILES for 2-hydroxy-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-5-nitrobenzamide is COc1cc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(I)c1OC.
What is the InChIKey of 2-hydroxy-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-5-nitrobenzamide?
The InChIKey is YECCPRYJOKEHLB-LSCVHKIXSA-N. The full InChI is InChI=1S/C16H14IN3O6/c1-25-14-6-9(5-12(17)15(14)26-2)8-18-19-16(22)11-7-10(20(23)24)3-4-13(11)21/h3-8,21H,1-2H3,(H,19,22)/b18-8-.
What are the key properties of 2-hydroxy-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-5-nitrobenzamide?
2-hydroxy-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-5-nitrobenzamide has a molecular weight of 471.21 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(Z)-(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-5-nitrobenzamide is sourced from PubChem (CID 6265393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).