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

C15H14N4O2 — CID 17027239

IUPACN-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide
SMILESCOc1ccc(-n2nc3ccc(NC(C)=O)cc3n2)cc1
InChIInChI=1S/C15H14N4O2/c1-10(20)16-11-3-8-14-15(9-11)18-19(17-14)12-4-6-13(21-2)7-5-12/h3-9H,1-2H3,(H,16,20)
InChIKeyCQELFZGSUNCTLD-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.39
Rot. Bonds3

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

N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide (PubChem CID 17027239) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide
PubChem CID17027239
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC NameN-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide
SMILESCOc1ccc(-n2nc3ccc(NC(C)=O)cc3n2)cc1
InChIInChI=1S/C15H14N4O2/c1-10(20)16-11-3-8-14-15(9-11)18-19(17-14)12-4-6-13(21-2)7-5-12/h3-9H,1-2H3,(H,16,20)
InChIKeyCQELFZGSUNCTLD-UHFFFAOYSA-N
XLogP2.39
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide (CID 17027239) is N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide is COc1ccc(-n2nc3ccc(NC(C)=O)cc3n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide?
The InChIKey is CQELFZGSUNCTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-10(20)16-11-3-8-14-15(9-11)18-19(17-14)12-4-6-13(21-2)7-5-12/h3-9H,1-2H3,(H,16,20).
What are the key properties of N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide?
N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide has a molecular weight of 282.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)benzotriazol-5-yl]acetamide is sourced from PubChem (CID 17027239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).