N-[[3-bromo-5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine

C14H9BrCl2FNO2 — CID 22680621

IUPACN-[[3-bromo-5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESON=Cc1cc(Cl)cc(Br)c1OCc1c(F)cccc1Cl
InChIInChI=1S/C14H9BrCl2FNO2/c15-11-5-9(16)4-8(6-19-20)14(11)21-7-10-12(17)2-1-3-13(10)18/h1-6,20H,7H2
InChIKeyIBWRJCSIUKDQDW-UHFFFAOYSA-N
MW393.04 g/mol
LogP5.28
Rot. Bonds4

About N-[[3-bromo-5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine

N-[[3-bromo-5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine (PubChem CID 22680621) has the molecular formula C14H9BrCl2FNO2 and a molecular weight of 393.04 g/mol. Its IUPAC name is N-[[3-bromo-5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[3-bromo-5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
PubChem CID22680621
Molecular FormulaC14H9BrCl2FNO2
Molecular Weight393.04 g/mol
Exact Mass390.92
IUPAC NameN-[[3-bromo-5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESON=Cc1cc(Cl)cc(Br)c1OCc1c(F)cccc1Cl
InChIInChI=1S/C14H9BrCl2FNO2/c15-11-5-9(16)4-8(6-19-20)14(11)21-7-10-12(17)2-1-3-13(10)18/h1-6,20H,7H2
InChIKeyIBWRJCSIUKDQDW-UHFFFAOYSA-N
XLogP5.28
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.04
LogP ≤ 55.28
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

N-[[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 22680259
N-[[3-bromo-5-chloro-2-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20990293
N-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 20989770
3-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoroaniline
CID 61496215
3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene
CID 112813104
N'-[(E)-[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-N-(3,5-dichlorophenyl)oxamide
CID 19661069
N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 22680693
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanol
CID 112612622
3,5-dibromo-4-[(2,6-difluorophenyl)methoxy]benzaldehyde
CID 107738201
3-[3-bromo-5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 20988139
2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63534231
2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene
CID 104707422

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[3-bromo-5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine (CID 22680621) is N-[[3-bromo-5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[3-bromo-5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[3-bromo-5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine is ON=Cc1cc(Cl)cc(Br)c1OCc1c(F)cccc1Cl.
What is the InChIKey of N-[[3-bromo-5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is IBWRJCSIUKDQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2FNO2/c15-11-5-9(16)4-8(6-19-20)14(11)21-7-10-12(17)2-1-3-13(10)18/h1-6,20H,7H2.
What are the key properties of N-[[3-bromo-5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
N-[[3-bromo-5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 393.04 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 22680621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).