2-(4,5-dihydrobenzotriazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide

C17H18N4O — CID 143847152

IUPAC2-(4,5-dihydrobenzotriazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide
SMILESO=C(Cn1nnc2c1C=CCC2)NC1Cc2ccccc2C1
InChIInChI=1S/C17H18N4O/c22-17(11-21-16-8-4-3-7-15(16)19-20-21)18-14-9-12-5-1-2-6-13(12)10-14/h1-2,4-6,8,14H,3,7,9-11H2,(H,18,22)
InChIKeyWIOCFFNFKYSSEN-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.52
Rot. Bonds3

About 2-(4,5-dihydrobenzotriazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide

2-(4,5-dihydrobenzotriazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide (PubChem CID 143847152) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-(4,5-dihydrobenzotriazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,5-dihydrobenzotriazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide
PubChem CID143847152
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-(4,5-dihydrobenzotriazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide
SMILESO=C(Cn1nnc2c1C=CCC2)NC1Cc2ccccc2C1
InChIInChI=1S/C17H18N4O/c22-17(11-21-16-8-4-3-7-15(16)19-20-21)18-14-9-12-5-1-2-6-13(12)10-14/h1-2,4-6,8,14H,3,7,9-11H2,(H,18,22)
InChIKeyWIOCFFNFKYSSEN-UHFFFAOYSA-N
XLogP1.52
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydrobenzotriazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide?
The IUPAC name of 2-(4,5-dihydrobenzotriazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide (CID 143847152) is 2-(4,5-dihydrobenzotriazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide.
What is the SMILES notation for 2-(4,5-dihydrobenzotriazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide?
The canonical SMILES for 2-(4,5-dihydrobenzotriazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide is O=C(Cn1nnc2c1C=CCC2)NC1Cc2ccccc2C1.
What is the InChIKey of 2-(4,5-dihydrobenzotriazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide?
The InChIKey is WIOCFFNFKYSSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c22-17(11-21-16-8-4-3-7-15(16)19-20-21)18-14-9-12-5-1-2-6-13(12)10-14/h1-2,4-6,8,14H,3,7,9-11H2,(H,18,22).
What are the key properties of 2-(4,5-dihydrobenzotriazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide?
2-(4,5-dihydrobenzotriazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide has a molecular weight of 294.36 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydrobenzotriazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide is sourced from PubChem (CID 143847152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).