N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylacetamide

C31H24N4O — CID 23096402

IUPACN-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylacetamide
SMILESCc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H24N4O/c1-21-19-27-28(34-35(33-27)29-18-10-16-22-11-8-9-17-25(22)29)20-26(21)32-31(36)30(23-12-4-2-5-13-23)24-14-6-3-7-15-24/h2-20,30H,1H3,(H,32,36)
InChIKeyCBRLGJSGSWDITE-UHFFFAOYSA-N
MW468.56 g/mol
LogP6.65
Rot. Bonds5

About N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylacetamide

N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylacetamide (PubChem CID 23096402) has the molecular formula C31H24N4O and a molecular weight of 468.56 g/mol. Its IUPAC name is N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylacetamide
PubChem CID23096402
Molecular FormulaC31H24N4O
Molecular Weight468.56 g/mol
Exact Mass468.20
IUPAC NameN-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylacetamide
SMILESCc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H24N4O/c1-21-19-27-28(34-35(33-27)29-18-10-16-22-11-8-9-17-25(22)29)20-26(21)32-31(36)30(23-12-4-2-5-13-23)24-14-6-3-7-15-24/h2-20,30H,1H3,(H,32,36)
InChIKeyCBRLGJSGSWDITE-UHFFFAOYSA-N
XLogP6.65
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylacetamide?
The IUPAC name of N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylacetamide (CID 23096402) is N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylacetamide?
The canonical SMILES for N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylacetamide is Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylacetamide?
The InChIKey is CBRLGJSGSWDITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N4O/c1-21-19-27-28(34-35(33-27)29-18-10-16-22-11-8-9-17-25(22)29)20-26(21)32-31(36)30(23-12-4-2-5-13-23)24-14-6-3-7-15-24/h2-20,30H,1H3,(H,32,36).
What are the key properties of N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylacetamide?
N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylacetamide has a molecular weight of 468.56 g/mol, XLogP of 6.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2,2-diphenylacetamide is sourced from PubChem (CID 23096402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).