2-(4-chlorophenoxy)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide

C21H17ClN4O2 — CID 1347677

IUPAC2-(4-chlorophenoxy)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide
SMILESCc1cc2nn(-c3ccccc3)nc2cc1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN4O2/c1-14-11-19-20(25-26(24-19)16-5-3-2-4-6-16)12-18(14)23-21(27)13-28-17-9-7-15(22)8-10-17/h2-12H,13H2,1H3,(H,23,27)
InChIKeyRLQNWMVZHUAFJO-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.40
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide

2-(4-chlorophenoxy)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide (PubChem CID 1347677) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide
PubChem CID1347677
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC Name2-(4-chlorophenoxy)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide
SMILESCc1cc2nn(-c3ccccc3)nc2cc1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN4O2/c1-14-11-19-20(25-26(24-19)16-5-3-2-4-6-16)12-18(14)23-21(27)13-28-17-9-7-15(22)8-10-17/h2-12H,13H2,1H3,(H,23,27)
InChIKeyRLQNWMVZHUAFJO-UHFFFAOYSA-N
XLogP4.40
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide (CID 1347677) is 2-(4-chlorophenoxy)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide is Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide?
The InChIKey is RLQNWMVZHUAFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c1-14-11-19-20(25-26(24-19)16-5-3-2-4-6-16)12-18(14)23-21(27)13-28-17-9-7-15(22)8-10-17/h2-12H,13H2,1H3,(H,23,27).
What are the key properties of 2-(4-chlorophenoxy)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide?
2-(4-chlorophenoxy)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide has a molecular weight of 392.85 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide is sourced from PubChem (CID 1347677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).