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

C14H10BrFN2O2 — CID 771428

IUPACN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide
SMILESO=C(NN=Cc1cc(Br)ccc1O)c1ccc(F)cc1
InChIInChI=1S/C14H10BrFN2O2/c15-11-3-6-13(19)10(7-11)8-17-18-14(20)9-1-4-12(16)5-2-9/h1-8,19H,(H,18,20)
InChIKeyKUTXNMVIGPLMLY-UHFFFAOYSA-N
MW337.15 g/mol
LogP3.06
Rot. Bonds3

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

N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide (PubChem CID 771428) has the molecular formula C14H10BrFN2O2 and a molecular weight of 337.15 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide
PubChem CID771428
Molecular FormulaC14H10BrFN2O2
Molecular Weight337.15 g/mol
Exact Mass335.99
IUPAC NameN-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide
SMILESO=C(NN=Cc1cc(Br)ccc1O)c1ccc(F)cc1
InChIInChI=1S/C14H10BrFN2O2/c15-11-3-6-13(19)10(7-11)8-17-18-14(20)9-1-4-12(16)5-2-9/h1-8,19H,(H,18,20)
InChIKeyKUTXNMVIGPLMLY-UHFFFAOYSA-N
XLogP3.06
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.15
LogP ≤ 53.06
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-[(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-tert-butylbenzamide
CID 135604314
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 135738438
4-fluoro-N-[(2-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 4220213
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(difluoromethoxy)benzamide
CID 142499229
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 135684588
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-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-(2,2-dimethylpropanoylamino)benzamide
CID 135606811
1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 136870132
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 913575

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide?
The IUPAC name of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide (CID 771428) is N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide?
The canonical SMILES for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide is O=C(NN=Cc1cc(Br)ccc1O)c1ccc(F)cc1.
What is the InChIKey of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide?
The InChIKey is KUTXNMVIGPLMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O2/c15-11-3-6-13(19)10(7-11)8-17-18-14(20)9-1-4-12(16)5-2-9/h1-8,19H,(H,18,20).
What are the key properties of N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide?
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide has a molecular weight of 337.15 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide is sourced from PubChem (CID 771428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).