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

C15H10Br2F2N2O3 — CID 137362357

IUPACN-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide
SMILESO=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H10Br2F2N2O3/c16-10-5-9(13(22)12(17)6-10)7-20-21-14(23)8-1-3-11(4-2-8)24-15(18)19/h1-7,15,22H,(H,21,23)/b20-7+
InChIKeyPPZSWGQJYOKZQT-IFRROFPPSA-N
MW464.06 g/mol
LogP4.28
Rot. Bonds5

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

N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide (PubChem CID 137362357) has the molecular formula C15H10Br2F2N2O3 and a molecular weight of 464.06 g/mol. Its IUPAC name is N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide
PubChem CID137362357
Molecular FormulaC15H10Br2F2N2O3
Molecular Weight464.06 g/mol
Exact Mass461.90
IUPAC NameN-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide
SMILESO=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H10Br2F2N2O3/c16-10-5-9(13(22)12(17)6-10)7-20-21-14(23)8-1-3-11(4-2-8)24-15(18)19/h1-7,15,22H,(H,21,23)/b20-7+
InChIKeyPPZSWGQJYOKZQT-IFRROFPPSA-N
XLogP4.28
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.06
LogP ≤ 54.28
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]-4-methoxybenzohydrazide
CID 135579518
3-bromo-N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]benzohydrazide
CID 135579623
N'-(5-Bromo-2-hydroxybenzylidene)-3,4-dimethoxybenzohydrazide
CID 135558504
N'-(5-Bromo-2-hydroxybenzylidene)-4-hydroxybenzohydrazide
CID 135558647
N'-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-(trifluoromethyl)benzohydrazide
CID 135517032
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]benzohydrazide
CID 135455465
Salicylaldehyde p-Methoxyphenyl-acyl hydrazone
CID 135648352
4-Hydroxy-N'-(2-methoxybenzylidene)benzohydrazide
CID 9689410
N'-(5-Bromo-2-hydroxybenzylidene)-4-methoxybenzohydrazide
CID 135403152
Carbohydrazide derivative, 3h
CID 135579261
Carbohydrazide derivative, 5c
CID 135867740
4-bromo-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide
CID 6904574

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide?
The IUPAC name of N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide (CID 137362357) is N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide?
The canonical SMILES for N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide is O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide?
The InChIKey is PPZSWGQJYOKZQT-IFRROFPPSA-N. The full InChI is InChI=1S/C15H10Br2F2N2O3/c16-10-5-9(13(22)12(17)6-10)7-20-21-14(23)8-1-3-11(4-2-8)24-15(18)19/h1-7,15,22H,(H,21,23)/b20-7+.
What are the key properties of N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide?
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide has a molecular weight of 464.06 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 137362357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).