N-[[5-chloro-2-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine

C21H18ClNO3 — CID 20984350

IUPACN-[[5-chloro-2-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
SMILESON=Cc1cc(Cl)ccc1OCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C21H18ClNO3/c22-18-10-11-20(17(14-18)15-23-24)25-12-13-26-21-9-5-4-8-19(21)16-6-2-1-3-7-16/h1-11,14-15,24H,12-13H2
InChIKeyGVVCHAROJFBQCC-UHFFFAOYSA-N
MW367.83 g/mol
LogP5.27
Rot. Bonds7

About N-[[5-chloro-2-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine

N-[[5-chloro-2-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine (PubChem CID 20984350) has the molecular formula C21H18ClNO3 and a molecular weight of 367.83 g/mol. Its IUPAC name is N-[[5-chloro-2-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[5-chloro-2-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
PubChem CID20984350
Molecular FormulaC21H18ClNO3
Molecular Weight367.83 g/mol
Exact Mass367.10
IUPAC NameN-[[5-chloro-2-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
SMILESON=Cc1cc(Cl)ccc1OCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C21H18ClNO3/c22-18-10-11-20(17(14-18)15-23-24)25-12-13-26-21-9-5-4-8-19(21)16-6-2-1-3-7-16/h1-11,14-15,24H,12-13H2
InChIKeyGVVCHAROJFBQCC-UHFFFAOYSA-N
XLogP5.27
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.83
LogP ≤ 55.27
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-chloro-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine
CID 20984024
(NE)-N-[(5-chloro-2-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 42200980
N-[[5-chloro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20993046
N-[[3-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20990115
(NE)-N-[(5-chloro-2-hexoxyphenyl)methylidene]hydroxylamine
CID 42184829
N-[(5-chloro-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine
CID 2287439
(NE)-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898054
N-[[2-[2-(4-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22681760
(NE)-N-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 89444710
N-[[5-bromo-2-[2-(4-chlorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20990708
2-[4-chloro-2-[(E)-hydroxyiminomethyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 124554760
2-[4-chloro-2-[(E)-hydroxyiminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 124555225

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[5-chloro-2-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine (CID 20984350) is N-[[5-chloro-2-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[5-chloro-2-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[5-chloro-2-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine is ON=Cc1cc(Cl)ccc1OCCOc1ccccc1-c1ccccc1.
What is the InChIKey of N-[[5-chloro-2-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is GVVCHAROJFBQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO3/c22-18-10-11-20(17(14-18)15-23-24)25-12-13-26-21-9-5-4-8-19(21)16-6-2-1-3-7-16/h1-11,14-15,24H,12-13H2.
What are the key properties of N-[[5-chloro-2-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine?
N-[[5-chloro-2-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 367.83 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[2-(2-phenylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 20984350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).