N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide

C15H12BrClN2O3 — CID 9060329

IUPACN-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide
SMILESCOc1cc(Br)c(/C=N\NC(=O)c2ccc(Cl)cc2)cc1O
InChIInChI=1S/C15H12BrClN2O3/c1-22-14-7-12(16)10(6-13(14)20)8-18-19-15(21)9-2-4-11(17)5-3-9/h2-8,20H,1H3,(H,19,21)/b18-8-
InChIKeyMMOSUXYCNLEPNJ-LSCVHKIXSA-N
MW383.63 g/mol
LogP3.58
Rot. Bonds4

About N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide

N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide (PubChem CID 9060329) has the molecular formula C15H12BrClN2O3 and a molecular weight of 383.63 g/mol. Its IUPAC name is N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide
PubChem CID9060329
Molecular FormulaC15H12BrClN2O3
Molecular Weight383.63 g/mol
Exact Mass381.97
IUPAC NameN-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide
SMILESCOc1cc(Br)c(/C=N\NC(=O)c2ccc(Cl)cc2)cc1O
InChIInChI=1S/C15H12BrClN2O3/c1-22-14-7-12(16)10(6-13(14)20)8-18-19-15(21)9-2-4-11(17)5-3-9/h2-8,20H,1H3,(H,19,21)/b18-8-
InChIKeyMMOSUXYCNLEPNJ-LSCVHKIXSA-N
XLogP3.58
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.63
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 5430724
N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-3,5-dihydroxybenzamide
CID 129396730
methyl 2-[5-bromo-4-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 126195572
N-[(E)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 135478077
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 872770
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 9016566
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 1001834
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dichlorobenzamide
CID 5430767
4-chloro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 6870625
4-chloro-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]benzamide
CID 691020
N-[(Z)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]benzamide
CID 137062416
N-[(2,4-dichlorophenyl)methylideneamino]-3-hydroxy-4-methoxybenzamide
CID 123861498

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide?
The IUPAC name of N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide (CID 9060329) is N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide.
What is the SMILES notation for N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide?
The canonical SMILES for N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide is COc1cc(Br)c(/C=N\NC(=O)c2ccc(Cl)cc2)cc1O.
What is the InChIKey of N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide?
The InChIKey is MMOSUXYCNLEPNJ-LSCVHKIXSA-N. The full InChI is InChI=1S/C15H12BrClN2O3/c1-22-14-7-12(16)10(6-13(14)20)8-18-19-15(21)9-2-4-11(17)5-3-9/h2-8,20H,1H3,(H,19,21)/b18-8-.
What are the key properties of N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide?
N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide has a molecular weight of 383.63 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide is sourced from PubChem (CID 9060329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).