N-[[5-bromo-2-[2-(4-fluorophenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine

C16H15BrFNO4 — CID 20987045

IUPACN-[[5-bromo-2-[2-(4-fluorophenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1cc(Br)cc(C=NO)c1OCCOc1ccc(F)cc1
InChIInChI=1S/C16H15BrFNO4/c1-21-15-9-12(17)8-11(10-19-20)16(15)23-7-6-22-14-4-2-13(18)3-5-14/h2-5,8-10,20H,6-7H2,1H3
InChIKeyNFNAXCYLSSSDPI-UHFFFAOYSA-N
MW384.20 g/mol
LogP3.86
Rot. Bonds7

About N-[[5-bromo-2-[2-(4-fluorophenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine

N-[[5-bromo-2-[2-(4-fluorophenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine (PubChem CID 20987045) has the molecular formula C16H15BrFNO4 and a molecular weight of 384.20 g/mol. Its IUPAC name is N-[[5-bromo-2-[2-(4-fluorophenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[5-bromo-2-[2-(4-fluorophenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
PubChem CID20987045
Molecular FormulaC16H15BrFNO4
Molecular Weight384.20 g/mol
Exact Mass383.02
IUPAC NameN-[[5-bromo-2-[2-(4-fluorophenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1cc(Br)cc(C=NO)c1OCCOc1ccc(F)cc1
InChIInChI=1S/C16H15BrFNO4/c1-21-15-9-12(17)8-11(10-19-20)16(15)23-7-6-22-14-4-2-13(18)3-5-14/h2-5,8-10,20H,6-7H2,1H3
InChIKeyNFNAXCYLSSSDPI-UHFFFAOYSA-N
XLogP3.86
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.20
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

N-[[5-bromo-3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22687784
5-bromo-2-[2-(4-fluorophenoxy)ethoxy]-3-methoxybenzonitrile
CID 22681620
N-[[5-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 20986539
N-[[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 20992695
N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine
CID 22682151
N-[[2-[2-(4-bromophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 20988942
N-[[5-chloro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20993046
(NE)-N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42337499
N-[[5-bromo-2-[2-(4-tert-butylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22680629
N-[[5-bromo-2-[2-(4-chlorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20990708
N-[[3-chloro-5-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22681380
(NZ)-N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 5407965

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-[2-(4-fluorophenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[5-bromo-2-[2-(4-fluorophenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine (CID 20987045) is N-[[5-bromo-2-[2-(4-fluorophenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[5-bromo-2-[2-(4-fluorophenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[5-bromo-2-[2-(4-fluorophenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine is COc1cc(Br)cc(C=NO)c1OCCOc1ccc(F)cc1.
What is the InChIKey of N-[[5-bromo-2-[2-(4-fluorophenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine?
The InChIKey is NFNAXCYLSSSDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO4/c1-21-15-9-12(17)8-11(10-19-20)16(15)23-7-6-22-14-4-2-13(18)3-5-14/h2-5,8-10,20H,6-7H2,1H3.
What are the key properties of N-[[5-bromo-2-[2-(4-fluorophenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine?
N-[[5-bromo-2-[2-(4-fluorophenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine has a molecular weight of 384.20 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-[2-(4-fluorophenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine is sourced from PubChem (CID 20987045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).