N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine

C15H13BrFNO3 — CID 4530036

IUPACN-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1cc(C=NO)c(Br)cc1OCc1ccc(F)cc1
InChIInChI=1S/C15H13BrFNO3/c1-20-14-6-11(8-18-19)13(16)7-15(14)21-9-10-2-4-12(17)5-3-10/h2-8,19H,9H2,1H3
InChIKeyUZUBJXXESHVAHH-UHFFFAOYSA-N
MW354.18 g/mol
LogP3.98
Rot. Bonds5

About N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine

N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine (PubChem CID 4530036) has the molecular formula C15H13BrFNO3 and a molecular weight of 354.18 g/mol. Its IUPAC name is N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine
PubChem CID4530036
Molecular FormulaC15H13BrFNO3
Molecular Weight354.18 g/mol
Exact Mass353.01
IUPAC NameN-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1cc(C=NO)c(Br)cc1OCc1ccc(F)cc1
InChIInChI=1S/C15H13BrFNO3/c1-20-14-6-11(8-18-19)13(16)7-15(14)21-9-10-2-4-12(17)5-3-10/h2-8,19H,9H2,1H3
InChIKeyUZUBJXXESHVAHH-UHFFFAOYSA-N
XLogP3.98
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.18
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine (CID 4530036) is N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine is COc1cc(C=NO)c(Br)cc1OCc1ccc(F)cc1.
What is the InChIKey of N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine?
The InChIKey is UZUBJXXESHVAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO3/c1-20-14-6-11(8-18-19)13(16)7-15(14)21-9-10-2-4-12(17)5-3-10/h2-8,19H,9H2,1H3.
What are the key properties of N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine?
N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine has a molecular weight of 354.18 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine is sourced from PubChem (CID 4530036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).