N-[[3-chloro-4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]methylidene]hydroxylamine

C19H21Cl2NO4 — CID 22682909

IUPACN-[[3-chloro-4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]methylidene]hydroxylamine
SMILESCCOc1cc(C=NO)cc(Cl)c1OCCOc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C19H21Cl2NO4/c1-4-24-17-10-14(11-22-23)9-16(20)19(17)26-6-5-25-15-7-12(2)18(21)13(3)8-15/h7-11,23H,4-6H2,1-3H3
InChIKeyKRJDZBXHZGXOHX-UHFFFAOYSA-N
MW398.29 g/mol
LogP5.27
Rot. Bonds8

About N-[[3-chloro-4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]methylidene]hydroxylamine

N-[[3-chloro-4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]methylidene]hydroxylamine (PubChem CID 22682909) has the molecular formula C19H21Cl2NO4 and a molecular weight of 398.29 g/mol. Its IUPAC name is N-[[3-chloro-4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[3-chloro-4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]methylidene]hydroxylamine
PubChem CID22682909
Molecular FormulaC19H21Cl2NO4
Molecular Weight398.29 g/mol
Exact Mass397.08
IUPAC NameN-[[3-chloro-4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]methylidene]hydroxylamine
SMILESCCOc1cc(C=NO)cc(Cl)c1OCCOc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C19H21Cl2NO4/c1-4-24-17-10-14(11-22-23)9-16(20)19(17)26-6-5-25-15-7-12(2)18(21)13(3)8-15/h7-11,23H,4-6H2,1-3H3
InChIKeyKRJDZBXHZGXOHX-UHFFFAOYSA-N
XLogP5.27
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.29
LogP ≤ 55.27
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-[[3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-ethoxyphenyl]methylidene]hydroxylamine
CID 22684998
N-[[3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22686275
(NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 5412015
(NE)-N-[[3-chloro-5-ethoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine
CID 42206329
(NZ)-N-[(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine
CID 124581265
(NZ)-N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 5408706
(NE)-N-[(3-chloro-5-methoxy-4-propoxyphenyl)methylidene]hydroxylamine
CID 19617932
(5Z)-5-[[3-chloro-4-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]-5-ethoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 46499331
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]hydroxylamine
CID 20985091
N-[[3-chloro-5-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22681380
N-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]hydroxylamine
CID 57360358
1-[3-chloro-5-ethoxy-4-(2-phenoxyethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 3914435

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[3-chloro-4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]methylidene]hydroxylamine (CID 22682909) is N-[[3-chloro-4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[3-chloro-4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[3-chloro-4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]methylidene]hydroxylamine is CCOc1cc(C=NO)cc(Cl)c1OCCOc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of N-[[3-chloro-4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]methylidene]hydroxylamine?
The InChIKey is KRJDZBXHZGXOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO4/c1-4-24-17-10-14(11-22-23)9-16(20)19(17)26-6-5-25-15-7-12(2)18(21)13(3)8-15/h7-11,23H,4-6H2,1-3H3.
What are the key properties of N-[[3-chloro-4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]methylidene]hydroxylamine?
N-[[3-chloro-4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]methylidene]hydroxylamine has a molecular weight of 398.29 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-ethoxyphenyl]methylidene]hydroxylamine is sourced from PubChem (CID 22682909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).