2-(2-chlorophenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide

C22H19ClN4O3 — CID 1258318

IUPAC2-(2-chlorophenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide
SMILESCCOc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4Cl)cc3n2)cc1
InChIInChI=1S/C22H19ClN4O3/c1-2-29-17-10-8-16(9-11-17)27-25-19-12-7-15(13-20(19)26-27)24-22(28)14-30-21-6-4-3-5-18(21)23/h3-13H,2,14H2,1H3,(H,24,28)
InChIKeyZFZRFZHRFVJYSQ-UHFFFAOYSA-N
MW422.87 g/mol
LogP4.49
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide

2-(2-chlorophenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide (PubChem CID 1258318) has the molecular formula C22H19ClN4O3 and a molecular weight of 422.87 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide
PubChem CID1258318
Molecular FormulaC22H19ClN4O3
Molecular Weight422.87 g/mol
Exact Mass422.11
IUPAC Name2-(2-chlorophenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide
SMILESCCOc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4Cl)cc3n2)cc1
InChIInChI=1S/C22H19ClN4O3/c1-2-29-17-10-8-16(9-11-17)27-25-19-12-7-15(13-20(19)26-27)24-22(28)14-30-21-6-4-3-5-18(21)23/h3-13H,2,14H2,1H3,(H,24,28)
InChIKeyZFZRFZHRFVJYSQ-UHFFFAOYSA-N
XLogP4.49
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide (CID 1258318) is 2-(2-chlorophenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide is CCOc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4Cl)cc3n2)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide?
The InChIKey is ZFZRFZHRFVJYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3/c1-2-29-17-10-8-16(9-11-17)27-25-19-12-7-15(13-20(19)26-27)24-22(28)14-30-21-6-4-3-5-18(21)23/h3-13H,2,14H2,1H3,(H,24,28).
What are the key properties of 2-(2-chlorophenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide?
2-(2-chlorophenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide has a molecular weight of 422.87 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]acetamide is sourced from PubChem (CID 1258318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).