N-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-diphenylacetamide

C27H22N4O2 — CID 991004

IUPACN-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-diphenylacetamide
SMILESCc1cc(NC(=O)C(c2ccccc2)c2ccccc2)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C27H22N4O2/c1-18-16-23(26(32)24(17-18)31-29-21-14-8-9-15-22(21)30-31)28-27(33)25(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-17,25,32H,1H3,(H,28,33)
InChIKeyIKHGWONMOWFXMB-UHFFFAOYSA-N
MW434.50 g/mol
LogP5.21
Rot. Bonds5

About N-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-diphenylacetamide

N-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-diphenylacetamide (PubChem CID 991004) has the molecular formula C27H22N4O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-diphenylacetamide
PubChem CID991004
Molecular FormulaC27H22N4O2
Molecular Weight434.50 g/mol
Exact Mass434.17
IUPAC NameN-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-diphenylacetamide
SMILESCc1cc(NC(=O)C(c2ccccc2)c2ccccc2)c(O)c(-n2nc3ccccc3n2)c1
InChIInChI=1S/C27H22N4O2/c1-18-16-23(26(32)24(17-18)31-29-21-14-8-9-15-22(21)30-31)28-27(33)25(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-17,25,32H,1H3,(H,28,33)
InChIKeyIKHGWONMOWFXMB-UHFFFAOYSA-N
XLogP5.21
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-diphenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-diphenylacetamide?
The IUPAC name of N-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-diphenylacetamide (CID 991004) is N-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-diphenylacetamide is Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)c(O)c(-n2nc3ccccc3n2)c1.
What is the InChIKey of N-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-diphenylacetamide?
The InChIKey is IKHGWONMOWFXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O2/c1-18-16-23(26(32)24(17-18)31-29-21-14-8-9-15-22(21)30-31)28-27(33)25(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-17,25,32H,1H3,(H,28,33).
What are the key properties of N-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-diphenylacetamide?
N-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-diphenylacetamide has a molecular weight of 434.50 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]-2,2-diphenylacetamide is sourced from PubChem (CID 991004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).