N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide

C15H11BrF2N2O3 — CID 142499229

IUPACN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide
SMILESO=C(NN=Cc1cc(Br)ccc1O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H11BrF2N2O3/c16-11-3-6-13(21)10(7-11)8-19-20-14(22)9-1-4-12(5-2-9)23-15(17)18/h1-8,15,21H,(H,20,22)
InChIKeySENPSOWDFXIGIM-UHFFFAOYSA-N
MW385.16 g/mol
LogP3.52
Rot. Bonds5

About N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide

N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide (PubChem CID 142499229) has the molecular formula C15H11BrF2N2O3 and a molecular weight of 385.16 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide
PubChem CID142499229
Molecular FormulaC15H11BrF2N2O3
Molecular Weight385.16 g/mol
Exact Mass383.99
IUPAC NameN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide
SMILESO=C(NN=Cc1cc(Br)ccc1O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H11BrF2N2O3/c16-11-3-6-13(21)10(7-11)8-19-20-14(22)9-1-4-12(5-2-9)23-15(17)18/h1-8,15,21H,(H,20,22)
InChIKeySENPSOWDFXIGIM-UHFFFAOYSA-N
XLogP3.52
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.16
LogP ≤ 53.52
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-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide
CID 771428
4-amino-N-[(Z)-[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]benzamide
CID 9070685
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzamide
CID 136766998
4-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 135576312
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 135684588
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-tert-butylbenzamide
CID 135604314
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 135738438
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-decoxybenzamide
CID 621481
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide
CID 3127374
2-bromo-N-[4-[[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 136802196
3-bromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 135419973
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(2,2-dimethylpropanoylamino)benzamide
CID 135606811

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide?
The IUPAC name of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide (CID 142499229) is N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide?
The canonical SMILES for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide is O=C(NN=Cc1cc(Br)ccc1O)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide?
The InChIKey is SENPSOWDFXIGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2N2O3/c16-11-3-6-13(21)10(7-11)8-19-20-14(22)9-1-4-12(5-2-9)23-15(17)18/h1-8,15,21H,(H,20,22).
What are the key properties of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide?
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide has a molecular weight of 385.16 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 142499229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).