N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-fluoro-4-(trifluoromethyl)benzamide

C15H8Br2F4N2O2 — CID 137362061

IUPACN-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-fluoro-4-(trifluoromethyl)benzamide
SMILESO=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C15H8Br2F4N2O2/c16-9-3-7(13(24)11(17)5-9)6-22-23-14(25)10-2-1-8(4-12(10)18)15(19,20)21/h1-6,24H,(H,23,25)/b22-6+
InChIKeyNMFSLVYSXOIMPW-GEVRCRHISA-N
MW484.04 g/mol
LogP4.84
Rot. Bonds3

About N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-fluoro-4-(trifluoromethyl)benzamide

N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-fluoro-4-(trifluoromethyl)benzamide (PubChem CID 137362061) has the molecular formula C15H8Br2F4N2O2 and a molecular weight of 484.04 g/mol. Its IUPAC name is N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-fluoro-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-fluoro-4-(trifluoromethyl)benzamide
PubChem CID137362061
Molecular FormulaC15H8Br2F4N2O2
Molecular Weight484.04 g/mol
Exact Mass481.89
IUPAC NameN-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-fluoro-4-(trifluoromethyl)benzamide
SMILESO=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C15H8Br2F4N2O2/c16-9-3-7(13(24)11(17)5-9)6-22-23-14(25)10-2-1-8(4-12(10)18)15(19,20)21/h1-6,24H,(H,23,25)/b22-6+
InChIKeyNMFSLVYSXOIMPW-GEVRCRHISA-N
XLogP4.84
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.04
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2,4-dimethylbenzamide
CID 135934987
2-bromo-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-5-iodobenzamide
CID 137035120
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-iodobenzamide
CID 2247557
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 137061149
2,4-dichloro-N-[4-[[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 137173692
N-[(3-bromo-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 142499236
2,4-dibromo-6-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 137129344
2,4-dibromo-N-[(E)-(5-fluoro-2-hydroxyphenyl)methylideneamino]benzamide
CID 137362013
2,4-dibromo-N-[(5-fluoro-2-hydroxyphenyl)methylideneamino]benzamide
CID 142499199
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 136758849
N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2,4-dichlorobenzamide
CID 136904981
N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137080251

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-fluoro-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-fluoro-4-(trifluoromethyl)benzamide (CID 137362061) is N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-fluoro-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-fluoro-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-fluoro-4-(trifluoromethyl)benzamide is O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-fluoro-4-(trifluoromethyl)benzamide?
The InChIKey is NMFSLVYSXOIMPW-GEVRCRHISA-N. The full InChI is InChI=1S/C15H8Br2F4N2O2/c16-9-3-7(13(24)11(17)5-9)6-22-23-14(25)10-2-1-8(4-12(10)18)15(19,20)21/h1-6,24H,(H,23,25)/b22-6+.
What are the key properties of N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-fluoro-4-(trifluoromethyl)benzamide?
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-fluoro-4-(trifluoromethyl)benzamide has a molecular weight of 484.04 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-fluoro-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 137362061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).