5-chloro-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-2-methoxybenzamide

C20H23ClN2O5 — CID 108540827

IUPAC5-chloro-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-2-methoxybenzamide
SMILESCCOc1ccccc1OCC(=O)NCCNC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C20H23ClN2O5/c1-3-27-17-6-4-5-7-18(17)28-13-19(24)22-10-11-23-20(25)15-12-14(21)8-9-16(15)26-2/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyMJJQKSHIWQHDCL-UHFFFAOYSA-N
MW406.87 g/mol
LogP2.67
Rot. Bonds10

About 5-chloro-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-2-methoxybenzamide

5-chloro-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-2-methoxybenzamide (PubChem CID 108540827) has the molecular formula C20H23ClN2O5 and a molecular weight of 406.87 g/mol. Its IUPAC name is 5-chloro-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-2-methoxybenzamide
PubChem CID108540827
Molecular FormulaC20H23ClN2O5
Molecular Weight406.87 g/mol
Exact Mass406.13
IUPAC Name5-chloro-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-2-methoxybenzamide
SMILESCCOc1ccccc1OCC(=O)NCCNC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C20H23ClN2O5/c1-3-27-17-6-4-5-7-18(17)28-13-19(24)22-10-11-23-20(25)15-12-14(21)8-9-16(15)26-2/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyMJJQKSHIWQHDCL-UHFFFAOYSA-N
XLogP2.67
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-2-methoxybenzamide 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

5-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24536002
5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 43009457
5-chloro-2-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide
CID 108540833
2,5-dichloro-N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]benzamide
CID 108542215
2,5-dichloro-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538079
5-chloro-2-methoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 2709916
2-(2,4-dichlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 26268404
2-(2-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8961000
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]naphthalene-1-carboxamide
CID 108540845
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361
5-chloro-2-methoxy-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108540869
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113102607

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-2-methoxybenzamide (CID 108540827) is 5-chloro-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-2-methoxybenzamide is CCOc1ccccc1OCC(=O)NCCNC(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of 5-chloro-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-2-methoxybenzamide?
The InChIKey is MJJQKSHIWQHDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O5/c1-3-27-17-6-4-5-7-18(17)28-13-19(24)22-10-11-23-20(25)15-12-14(21)8-9-16(15)26-2/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 5-chloro-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-2-methoxybenzamide?
5-chloro-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-2-methoxybenzamide has a molecular weight of 406.87 g/mol, XLogP of 2.67, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 108540827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).