N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-4-iodo-3-methoxybenzamide

C15H11BrClIN2O3 — CID 137062731

IUPACN-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-4-iodo-3-methoxybenzamide
SMILESCOc1cc(C(=O)N/N=C\c2cc(Cl)cc(Br)c2O)ccc1I
InChIInChI=1S/C15H11BrClIN2O3/c1-23-13-5-8(2-3-12(13)18)15(22)20-19-7-9-4-10(17)6-11(16)14(9)21/h2-7,21H,1H3,(H,20,22)/b19-7-
InChIKeyMFOSALPYIGFIEN-GXHLCREISA-N
MW509.53 g/mol
LogP4.19
Rot. Bonds4

About N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-4-iodo-3-methoxybenzamide

N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-4-iodo-3-methoxybenzamide (PubChem CID 137062731) has the molecular formula C15H11BrClIN2O3 and a molecular weight of 509.53 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-4-iodo-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-4-iodo-3-methoxybenzamide
PubChem CID137062731
Molecular FormulaC15H11BrClIN2O3
Molecular Weight509.53 g/mol
Exact Mass507.87
IUPAC NameN-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-4-iodo-3-methoxybenzamide
SMILESCOc1cc(C(=O)N/N=C\c2cc(Cl)cc(Br)c2O)ccc1I
InChIInChI=1S/C15H11BrClIN2O3/c1-23-13-5-8(2-3-12(13)18)15(22)20-19-7-9-4-10(17)6-11(16)14(9)21/h2-7,21H,1H3,(H,20,22)/b19-7-
InChIKeyMFOSALPYIGFIEN-GXHLCREISA-N
XLogP4.19
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.53
LogP ≤ 54.19
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-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 3295001
N-[(2,4-dichlorophenyl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 5160595
N-[(E)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 135478077
N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodobenzamide
CID 135533719
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 872770
N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135643439
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 5430724
N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 136661357
3-bromo-N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 5196693
N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 9060329
N-[(E)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 135579484
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 135931429

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-4-iodo-3-methoxybenzamide?
The IUPAC name of N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-4-iodo-3-methoxybenzamide (CID 137062731) is N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-4-iodo-3-methoxybenzamide.
What is the SMILES notation for N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-4-iodo-3-methoxybenzamide?
The canonical SMILES for N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-4-iodo-3-methoxybenzamide is COc1cc(C(=O)N/N=C\c2cc(Cl)cc(Br)c2O)ccc1I.
What is the InChIKey of N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-4-iodo-3-methoxybenzamide?
The InChIKey is MFOSALPYIGFIEN-GXHLCREISA-N. The full InChI is InChI=1S/C15H11BrClIN2O3/c1-23-13-5-8(2-3-12(13)18)15(22)20-19-7-9-4-10(17)6-11(16)14(9)21/h2-7,21H,1H3,(H,20,22)/b19-7-.
What are the key properties of N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-4-iodo-3-methoxybenzamide?
N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-4-iodo-3-methoxybenzamide has a molecular weight of 509.53 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-4-iodo-3-methoxybenzamide is sourced from PubChem (CID 137062731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).