(NE)-N-[1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethylidene]hydroxylamine

C15H13BrFNO2 — CID 43106090

IUPAC(NE)-N-[1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccccc1OCc1cc(Br)ccc1F
InChIInChI=1S/C15H13BrFNO2/c1-10(18-19)13-4-2-3-5-15(13)20-9-11-8-12(16)6-7-14(11)17/h2-8,19H,9H2,1H3/b18-10+
InChIKeyCMABFAVNHVAAER-VCHYOVAHSA-N
MW338.18 g/mol
LogP4.37
Rot. Bonds4

About (NE)-N-[1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethylidene]hydroxylamine

(NE)-N-[1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethylidene]hydroxylamine (PubChem CID 43106090) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is (NE)-N-[1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethylidene]hydroxylamine
PubChem CID43106090
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name(NE)-N-[1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethylidene]hydroxylamine
SMILESC/C(=N\O)c1ccccc1OCc1cc(Br)ccc1F
InChIInChI=1S/C15H13BrFNO2/c1-10(18-19)13-4-2-3-5-15(13)20-9-11-8-12(16)6-7-14(11)17/h2-8,19H,9H2,1H3/b18-10+
InChIKeyCMABFAVNHVAAER-VCHYOVAHSA-N
XLogP4.37
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

(NZ)-N-[1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 103046778
1-[4-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanone
CID 102948055
(NZ)-N-[1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 103046785
N-[1-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 76936776
(NZ)-N-[1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 107306639
(NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethylidene]hydroxylamine
CID 114849679
2-[(4-bromo-2-fluorophenyl)methoxy]benzamide
CID 7640045
1-[2-[(5-bromo-2-fluorophenyl)methoxy]-4-methoxyphenyl]ethanone
CID 78978251
1-[5-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanol
CID 63533682
1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]-N-methylpropan-1-amine
CID 63500974
(NE)-N-[1-[2-(2,2-difluoroethoxy)phenyl]ethylidene]hydroxylamine
CID 60922167
2-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24706233

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethylidene]hydroxylamine (CID 43106090) is (NE)-N-[1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethylidene]hydroxylamine is C/C(=N\O)c1ccccc1OCc1cc(Br)ccc1F.
What is the InChIKey of (NE)-N-[1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethylidene]hydroxylamine?
The InChIKey is CMABFAVNHVAAER-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-10(18-19)13-4-2-3-5-15(13)20-9-11-8-12(16)6-7-14(11)17/h2-8,19H,9H2,1H3/b18-10+.
What are the key properties of (NE)-N-[1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethylidene]hydroxylamine?
(NE)-N-[1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethylidene]hydroxylamine has a molecular weight of 338.18 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 43106090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).