2-[4-(benzyliminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide

C18H19ClN2O3 — CID 19587913

IUPAC2-[4-(benzyliminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide
SMILESCCOc1cc(/C=N/Cc2ccccc2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C18H19ClN2O3/c1-2-23-16-9-14(8-15(19)18(16)24-12-17(20)22)11-21-10-13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H2,20,22)/b21-11+
InChIKeyMRYPBVKJOPWXLL-SRZZPIQSSA-N
MW346.81 g/mol
LogP3.22
Rot. Bonds8

About 2-[4-(benzyliminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide

2-[4-(benzyliminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide (PubChem CID 19587913) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 2-[4-(benzyliminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(benzyliminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide
PubChem CID19587913
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name2-[4-(benzyliminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide
SMILESCCOc1cc(/C=N/Cc2ccccc2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C18H19ClN2O3/c1-2-23-16-9-14(8-15(19)18(16)24-12-17(20)22)11-21-10-13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H2,20,22)/b21-11+
InChIKeyMRYPBVKJOPWXLL-SRZZPIQSSA-N
XLogP3.22
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(carbamoylhydrazinylidene)methyl]-2-chloro-6-ethoxyphenoxy]acetamide
CID 57361228
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]methylideneamino]-4-chlorobenzamide
CID 126258500
(NZ)-N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 5408706
2-[2-chloro-6-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]acetamide
CID 126232825
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]methylideneamino]-4-bromobenzamide
CID 126273147
2-[2-chloro-4-[(diaminomethylidenehydrazinylidene)methyl]-6-ethoxyphenoxy]-N-phenylacetamide
CID 168591939
2-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]oxyacetamide
CID 7706844
2-[2-chloro-6-ethoxy-4-[(Z)-hydroxyiminomethyl]phenoxy]-N-phenylacetamide
CID 126047053
(NE)-N-[[3-chloro-5-ethoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine
CID 42206329
N-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515314
2-[2-chloro-6-ethoxy-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126215628
N-[(E)-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]methylideneamino]benzamide
CID 126262841

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzyliminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide?
The IUPAC name of 2-[4-(benzyliminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide (CID 19587913) is 2-[4-(benzyliminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-(benzyliminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-(benzyliminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide is CCOc1cc(/C=N/Cc2ccccc2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 2-[4-(benzyliminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide?
The InChIKey is MRYPBVKJOPWXLL-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-2-23-16-9-14(8-15(19)18(16)24-12-17(20)22)11-21-10-13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H2,20,22)/b21-11+.
What are the key properties of 2-[4-(benzyliminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide?
2-[4-(benzyliminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide has a molecular weight of 346.81 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzyliminomethyl)-2-chloro-6-ethoxyphenoxy]acetamide is sourced from PubChem (CID 19587913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).