2-(4-chlorophenoxy)-N-[(E)-(6-ethoxy-1,3-benzodioxol-5-yl)methylideneamino]acetamide

C18H17ClN2O5 — CID 126108927

IUPAC2-(4-chlorophenoxy)-N-[(E)-(6-ethoxy-1,3-benzodioxol-5-yl)methylideneamino]acetamide
SMILESCCOc1cc2c(cc1/C=N/NC(=O)COc1ccc(Cl)cc1)OCO2
InChIInChI=1S/C18H17ClN2O5/c1-2-23-15-8-17-16(25-11-26-17)7-12(15)9-20-21-18(22)10-24-14-5-3-13(19)4-6-14/h3-9H,2,10-11H2,1H3,(H,21,22)/b20-9+
InChIKeyYUMAIZWQEVSDFD-AWQFTUOYSA-N
MW376.80 g/mol
LogP3.00
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[(E)-(6-ethoxy-1,3-benzodioxol-5-yl)methylideneamino]acetamide

2-(4-chlorophenoxy)-N-[(E)-(6-ethoxy-1,3-benzodioxol-5-yl)methylideneamino]acetamide (PubChem CID 126108927) has the molecular formula C18H17ClN2O5 and a molecular weight of 376.80 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(E)-(6-ethoxy-1,3-benzodioxol-5-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(E)-(6-ethoxy-1,3-benzodioxol-5-yl)methylideneamino]acetamide
PubChem CID126108927
Molecular FormulaC18H17ClN2O5
Molecular Weight376.80 g/mol
Exact Mass376.08
IUPAC Name2-(4-chlorophenoxy)-N-[(E)-(6-ethoxy-1,3-benzodioxol-5-yl)methylideneamino]acetamide
SMILESCCOc1cc2c(cc1/C=N/NC(=O)COc1ccc(Cl)cc1)OCO2
InChIInChI=1S/C18H17ClN2O5/c1-2-23-15-8-17-16(25-11-26-17)7-12(15)9-20-21-18(22)10-24-14-5-3-13(19)4-6-14/h3-9H,2,10-11H2,1H3,(H,21,22)/b20-9+
InChIKeyYUMAIZWQEVSDFD-AWQFTUOYSA-N
XLogP3.00
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]acetamide
CID 9358652
N-[(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(3-chlorophenoxy)acetamide
CID 1368198
2-(4-chlorophenoxy)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
CID 5334474
2-(2-ethoxyphenoxy)-N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide
CID 3944141
[4-bromo-2-[[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 4166243
2-(4-chlorophenyl)-N-[(E)-(2-ethoxy-5-methoxyphenyl)methylideneamino]acetamide
CID 51061462
2-(3-chlorophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]acetamide
CID 4603346
[2-[[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate
CID 1243771
N-[(6-ethoxy-1,3-benzodioxol-5-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 4661039
N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 19165657
N-[(2-bromophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 2311965
5-bromo-N-[(E)-(6-ethoxy-1,3-benzodioxol-5-yl)methylideneamino]-2-methoxybenzamide
CID 126100905

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(E)-(6-ethoxy-1,3-benzodioxol-5-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(E)-(6-ethoxy-1,3-benzodioxol-5-yl)methylideneamino]acetamide (CID 126108927) is 2-(4-chlorophenoxy)-N-[(E)-(6-ethoxy-1,3-benzodioxol-5-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(E)-(6-ethoxy-1,3-benzodioxol-5-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(E)-(6-ethoxy-1,3-benzodioxol-5-yl)methylideneamino]acetamide is CCOc1cc2c(cc1/C=N/NC(=O)COc1ccc(Cl)cc1)OCO2.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(E)-(6-ethoxy-1,3-benzodioxol-5-yl)methylideneamino]acetamide?
The InChIKey is YUMAIZWQEVSDFD-AWQFTUOYSA-N. The full InChI is InChI=1S/C18H17ClN2O5/c1-2-23-15-8-17-16(25-11-26-17)7-12(15)9-20-21-18(22)10-24-14-5-3-13(19)4-6-14/h3-9H,2,10-11H2,1H3,(H,21,22)/b20-9+.
What are the key properties of 2-(4-chlorophenoxy)-N-[(E)-(6-ethoxy-1,3-benzodioxol-5-yl)methylideneamino]acetamide?
2-(4-chlorophenoxy)-N-[(E)-(6-ethoxy-1,3-benzodioxol-5-yl)methylideneamino]acetamide has a molecular weight of 376.80 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(E)-(6-ethoxy-1,3-benzodioxol-5-yl)methylideneamino]acetamide is sourced from PubChem (CID 126108927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).