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

C22H20N4O2 — CID 1372492

IUPACN-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide
SMILESCCOc1ccc(-n2nc3ccc(NC(=O)Cc4ccccc4)cc3n2)cc1
InChIInChI=1S/C22H20N4O2/c1-2-28-19-11-9-18(10-12-19)26-24-20-13-8-17(15-21(20)25-26)23-22(27)14-16-6-4-3-5-7-16/h3-13,15H,2,14H2,1H3,(H,23,27)
InChIKeyGJMWOOBRUBNFLG-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.00
Rot. Bonds6

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

N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide (PubChem CID 1372492) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide
PubChem CID1372492
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide
SMILESCCOc1ccc(-n2nc3ccc(NC(=O)Cc4ccccc4)cc3n2)cc1
InChIInChI=1S/C22H20N4O2/c1-2-28-19-11-9-18(10-12-19)26-24-20-13-8-17(15-21(20)25-26)23-22(27)14-16-6-4-3-5-7-16/h3-13,15H,2,14H2,1H3,(H,23,27)
InChIKeyGJMWOOBRUBNFLG-UHFFFAOYSA-N
XLogP4.00
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide (CID 1372492) is N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide is CCOc1ccc(-n2nc3ccc(NC(=O)Cc4ccccc4)cc3n2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide?
The InChIKey is GJMWOOBRUBNFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-2-28-19-11-9-18(10-12-19)26-24-20-13-8-17(15-21(20)25-26)23-22(27)14-16-6-4-3-5-7-16/h3-13,15H,2,14H2,1H3,(H,23,27).
What are the key properties of N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide?
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide has a molecular weight of 372.43 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-phenylacetamide is sourced from PubChem (CID 1372492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).