N-[[5-bromo-2-[2-(4-chlorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine

C15H13BrClNO3 — CID 20990708

IUPACN-[[5-bromo-2-[2-(4-chlorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine
SMILESON=Cc1cc(Br)ccc1OCCOc1ccc(Cl)cc1
InChIInChI=1S/C15H13BrClNO3/c16-12-1-6-15(11(9-12)10-18-19)21-8-7-20-14-4-2-13(17)3-5-14/h1-6,9-10,19H,7-8H2
InChIKeyQUFUFVOMTYCDFZ-UHFFFAOYSA-N
MW370.63 g/mol
LogP4.37
Rot. Bonds6

About N-[[5-bromo-2-[2-(4-chlorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine

N-[[5-bromo-2-[2-(4-chlorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine (PubChem CID 20990708) has the molecular formula C15H13BrClNO3 and a molecular weight of 370.63 g/mol. Its IUPAC name is N-[[5-bromo-2-[2-(4-chlorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[5-bromo-2-[2-(4-chlorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine
PubChem CID20990708
Molecular FormulaC15H13BrClNO3
Molecular Weight370.63 g/mol
Exact Mass368.98
IUPAC NameN-[[5-bromo-2-[2-(4-chlorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine
SMILESON=Cc1cc(Br)ccc1OCCOc1ccc(Cl)cc1
InChIInChI=1S/C15H13BrClNO3/c16-12-1-6-15(11(9-12)10-18-19)21-8-7-20-14-4-2-13(17)3-5-14/h1-6,9-10,19H,7-8H2
InChIKeyQUFUFVOMTYCDFZ-UHFFFAOYSA-N
XLogP4.37
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.63
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-2-[2-(4-tert-butylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22680629
5-bromo-2-[2-(4-chlorophenoxy)ethoxy]benzaldehyde
CID 20988193
N-[[5-chloro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20993046
N-[[5-chloro-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine
CID 20984024
(NE)-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898107
N-[[2-[2-(4-bromophenoxy)ethoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 20988942
(NZ)-N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 51491083
2,4-dibromo-1-[3-(4-chlorophenoxy)propoxy]benzene
CID 59330882
[4-bromo-2-[(Z)-hydroxyiminomethyl]phenyl] 4-chlorobenzenesulfonate
CID 126081877
N-[[4-[2-(4-chlorophenoxy)ethoxy]-3-ethoxyphenyl]methylidene]hydroxylamine
CID 20989891
(NZ)-N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 5407965
(NE)-N-[(5-chloro-2-hexoxyphenyl)methylidene]hydroxylamine
CID 42184829

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-[2-(4-chlorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[5-bromo-2-[2-(4-chlorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine (CID 20990708) is N-[[5-bromo-2-[2-(4-chlorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[5-bromo-2-[2-(4-chlorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[5-bromo-2-[2-(4-chlorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine is ON=Cc1cc(Br)ccc1OCCOc1ccc(Cl)cc1.
What is the InChIKey of N-[[5-bromo-2-[2-(4-chlorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is QUFUFVOMTYCDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO3/c16-12-1-6-15(11(9-12)10-18-19)21-8-7-20-14-4-2-13(17)3-5-14/h1-6,9-10,19H,7-8H2.
What are the key properties of N-[[5-bromo-2-[2-(4-chlorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
N-[[5-bromo-2-[2-(4-chlorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 370.63 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-[2-(4-chlorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 20990708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).