N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide

C15H13IN2O3 — CID 136697673

IUPACN-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2ccccc2O)cc1I
InChIInChI=1S/C15H13IN2O3/c1-21-14-7-6-10(8-12(14)16)15(20)18-17-9-11-4-2-3-5-13(11)19/h2-9,19H,1H3,(H,18,20)/b17-9-
InChIKeyWWLUKFDEVGCGDJ-MFOYZWKCSA-N
MW396.18 g/mol
LogP2.77
Rot. Bonds4

About N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide

N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide (PubChem CID 136697673) has the molecular formula C15H13IN2O3 and a molecular weight of 396.18 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
PubChem CID136697673
Molecular FormulaC15H13IN2O3
Molecular Weight396.18 g/mol
Exact Mass396.00
IUPAC NameN-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2ccccc2O)cc1I
InChIInChI=1S/C15H13IN2O3/c1-21-14-7-6-10(8-12(14)16)15(20)18-17-9-11-4-2-3-5-13(11)19/h2-9,19H,1H3,(H,18,20)/b17-9-
InChIKeyWWLUKFDEVGCGDJ-MFOYZWKCSA-N
XLogP2.77
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.18
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 6117681
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 135931429
3-iodo-4-methoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 6117441
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 6117439
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 135559989
N-[(2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3470891
N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655
3-iodo-4-methoxy-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6117559
N-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 136732655
3-iodo-4-methoxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135931425
4-bromo-N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]benzamide
CID 5339727
4-bromo-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5404678

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide?
The IUPAC name of N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide (CID 136697673) is N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide.
What is the SMILES notation for N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide?
The canonical SMILES for N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide is COc1ccc(C(=O)N/N=C\c2ccccc2O)cc1I.
What is the InChIKey of N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide?
The InChIKey is WWLUKFDEVGCGDJ-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H13IN2O3/c1-21-14-7-6-10(8-12(14)16)15(20)18-17-9-11-4-2-3-5-13(11)19/h2-9,19H,1H3,(H,18,20)/b17-9-.
What are the key properties of N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide?
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide has a molecular weight of 396.18 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide is sourced from PubChem (CID 136697673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).