2-(3-chlorophenoxy)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide

C18H17ClN2O3 — CID 5334217

IUPAC2-(3-chlorophenoxy)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide
SMILESC=CCOc1ccccc1/C=N/NC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O3/c1-2-10-23-17-9-4-3-6-14(17)12-20-21-18(22)13-24-16-8-5-7-15(19)11-16/h2-9,11-12H,1,10,13H2,(H,21,22)/b20-12+
InChIKeyVKXBDJGEYPFBJJ-UDWIEESQSA-N
MW344.80 g/mol
LogP3.43
Rot. Bonds8

About 2-(3-chlorophenoxy)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide

2-(3-chlorophenoxy)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide (PubChem CID 5334217) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide
PubChem CID5334217
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name2-(3-chlorophenoxy)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide
SMILESC=CCOc1ccccc1/C=N/NC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O3/c1-2-10-23-17-9-4-3-6-14(17)12-20-21-18(22)13-24-16-8-5-7-15(19)11-16/h2-9,11-12H,1,10,13H2,(H,21,22)/b20-12+
InChIKeyVKXBDJGEYPFBJJ-UDWIEESQSA-N
XLogP3.43
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-chlorophenoxy)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenoxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5131254
2-[(E)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 19190252
2-naphthalen-1-yloxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5146586
2-(4-butoxyphenoxy)-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 6265120
2-(4-butoxyphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5081383
2-(2,6-dimethylphenoxy)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 54788834
N,N'-bis[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]butanediamide
CID 6003774
2-(2-methylphenoxy)-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 2251128
2-(3-chlorophenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 7039264
N,N'-bis[(2-prop-2-enoxyphenyl)methylideneamino]pentanediamide
CID 3634510
2-(3-chlorophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]acetamide
CID 4603346
4-chloro-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 5334393

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide (CID 5334217) is 2-(3-chlorophenoxy)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide is C=CCOc1ccccc1/C=N/NC(=O)COc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide?
The InChIKey is VKXBDJGEYPFBJJ-UDWIEESQSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-2-10-23-17-9-4-3-6-14(17)12-20-21-18(22)13-24-16-8-5-7-15(19)11-16/h2-9,11-12H,1,10,13H2,(H,21,22)/b20-12+.
What are the key properties of 2-(3-chlorophenoxy)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide?
2-(3-chlorophenoxy)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide has a molecular weight of 344.80 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 5334217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).