N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide

C15H9Br2F3N2O2 — CID 136758849

IUPACN-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
SMILESO=C(N/N=C\c1cc(Br)c(O)c(Br)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H9Br2F3N2O2/c16-11-4-8(5-12(17)13(11)23)7-21-22-14(24)9-2-1-3-10(6-9)15(18,19)20/h1-7,23H,(H,22,24)/b21-7-
InChIKeyRKBWKUWQJUUJKG-YXSASFKJSA-N
MW466.05 g/mol
LogP4.70
Rot. Bonds3

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

N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide (PubChem CID 136758849) has the molecular formula C15H9Br2F3N2O2 and a molecular weight of 466.05 g/mol. Its IUPAC name is N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
PubChem CID136758849
Molecular FormulaC15H9Br2F3N2O2
Molecular Weight466.05 g/mol
Exact Mass463.90
IUPAC NameN-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
SMILESO=C(N/N=C\c1cc(Br)c(O)c(Br)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H9Br2F3N2O2/c16-11-4-8(5-12(17)13(11)23)7-21-22-14(24)9-2-1-3-10(6-9)15(18,19)20/h1-7,23H,(H,22,24)/b21-7-
InChIKeyRKBWKUWQJUUJKG-YXSASFKJSA-N
XLogP4.70
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.05
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-[(3-bromo-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 142499236
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137080514
N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137080586
N-[(E)-(4-iodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 21211160
3-acetamido-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 3877269
N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 142499205
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 135546449
N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137066625
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137031731
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135533190
N-[(E)-[4-(cyanomethoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
CID 6887548
N-[[4-(2-methylpropoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
CID 4520620

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide (CID 136758849) is N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide is O=C(N/N=C\c1cc(Br)c(O)c(Br)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
The InChIKey is RKBWKUWQJUUJKG-YXSASFKJSA-N. The full InChI is InChI=1S/C15H9Br2F3N2O2/c16-11-4-8(5-12(17)13(11)23)7-21-22-14(24)9-2-1-3-10(6-9)15(18,19)20/h1-7,23H,(H,22,24)/b21-7-.
What are the key properties of N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide has a molecular weight of 466.05 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 136758849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).