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

C21H17ClN4O3 — CID 1007369

IUPAC2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4Cl)cc3n2)cc1
InChIInChI=1S/C21H17ClN4O3/c1-28-16-9-7-15(8-10-16)26-24-18-11-6-14(12-19(18)25-26)23-21(27)13-29-20-5-3-2-4-17(20)22/h2-12H,13H2,1H3,(H,23,27)
InChIKeySYEMPPRWGZCCRN-UHFFFAOYSA-N
MW408.85 g/mol
LogP4.10
Rot. Bonds6

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

2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide (PubChem CID 1007369) has the molecular formula C21H17ClN4O3 and a molecular weight of 408.85 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide
PubChem CID1007369
Molecular FormulaC21H17ClN4O3
Molecular Weight408.85 g/mol
Exact Mass408.10
IUPAC Name2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide
SMILESCOc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4Cl)cc3n2)cc1
InChIInChI=1S/C21H17ClN4O3/c1-28-16-9-7-15(8-10-16)26-24-18-11-6-14(12-19(18)25-26)23-21(27)13-29-20-5-3-2-4-17(20)22/h2-12H,13H2,1H3,(H,23,27)
InChIKeySYEMPPRWGZCCRN-UHFFFAOYSA-N
XLogP4.10
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.85
LogP ≤ 54.10
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-methoxyphenyl)benzotriazol-5-yl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide (CID 1007369) is 2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide is COc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4Cl)cc3n2)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide?
The InChIKey is SYEMPPRWGZCCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O3/c1-28-16-9-7-15(8-10-16)26-24-18-11-6-14(12-19(18)25-26)23-21(27)13-29-20-5-3-2-4-17(20)22/h2-12H,13H2,1H3,(H,23,27).
What are the key properties of 2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide?
2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide has a molecular weight of 408.85 g/mol, XLogP of 4.10, 6 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-methoxyphenyl)benzotriazol-5-yl]acetamide is sourced from PubChem (CID 1007369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).