4-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-N-(4-ethoxyphenyl)benzamide

C23H20ClN5O4 — CID 26054829

IUPAC4-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)COn3nnc4ccc(Cl)cc43)cc2)cc1
InChIInChI=1S/C23H20ClN5O4/c1-2-32-19-10-8-18(9-11-19)26-23(31)15-3-6-17(7-4-15)25-22(30)14-33-29-21-13-16(24)5-12-20(21)27-28-29/h3-13H,2,14H2,1H3,(H,25,30)(H,26,31)
InChIKeyOVRUAWVDKHYOIX-UHFFFAOYSA-N
MW465.90 g/mol
LogP3.80
Rot. Bonds8

About 4-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-N-(4-ethoxyphenyl)benzamide

4-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-N-(4-ethoxyphenyl)benzamide (PubChem CID 26054829) has the molecular formula C23H20ClN5O4 and a molecular weight of 465.90 g/mol. Its IUPAC name is 4-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-N-(4-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-N-(4-ethoxyphenyl)benzamide
PubChem CID26054829
Molecular FormulaC23H20ClN5O4
Molecular Weight465.90 g/mol
Exact Mass465.12
IUPAC Name4-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)COn3nnc4ccc(Cl)cc43)cc2)cc1
InChIInChI=1S/C23H20ClN5O4/c1-2-32-19-10-8-18(9-11-19)26-23(31)15-3-6-17(7-4-15)25-22(30)14-33-29-21-13-16(24)5-12-20(21)27-28-29/h3-13H,2,14H2,1H3,(H,25,30)(H,26,31)
InChIKeyOVRUAWVDKHYOIX-UHFFFAOYSA-N
XLogP3.80
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.90
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)acetamide
CID 2108008
N-(4-bromo-3-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
CID 2641213
4-[(6-chlorobenzotriazol-1-yl)oxymethyl]-N-phenylbenzamide
CID 7697148
2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide
CID 7696914
N-(1,3-benzodioxol-5-yl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
CID 7696724
4-[[2-(4-chloroanilino)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26417233
ethyl 2-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7696888
methyl 3-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7706071
N-(4-ethoxyphenyl)-4-[(2-hydroxyacetyl)amino]benzamide
CID 8006880
N-(2-bromo-4-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
CID 2695468
[2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 7574746
N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
CID 26218143

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-N-(4-ethoxyphenyl)benzamide?
The IUPAC name of 4-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-N-(4-ethoxyphenyl)benzamide (CID 26054829) is 4-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-N-(4-ethoxyphenyl)benzamide.
What is the SMILES notation for 4-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-N-(4-ethoxyphenyl)benzamide?
The canonical SMILES for 4-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-N-(4-ethoxyphenyl)benzamide is CCOc1ccc(NC(=O)c2ccc(NC(=O)COn3nnc4ccc(Cl)cc43)cc2)cc1.
What is the InChIKey of 4-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-N-(4-ethoxyphenyl)benzamide?
The InChIKey is OVRUAWVDKHYOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O4/c1-2-32-19-10-8-18(9-11-19)26-23(31)15-3-6-17(7-4-15)25-22(30)14-33-29-21-13-16(24)5-12-20(21)27-28-29/h3-13H,2,14H2,1H3,(H,25,30)(H,26,31).
What are the key properties of 4-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-N-(4-ethoxyphenyl)benzamide?
4-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-N-(4-ethoxyphenyl)benzamide has a molecular weight of 465.90 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-N-(4-ethoxyphenyl)benzamide is sourced from PubChem (CID 26054829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).