5-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzotriazole-1-carboxamide

C16H13ClN4O — CID 58271173

IUPAC5-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzotriazole-1-carboxamide
SMILESO=C(NC1CCc2ccccc21)n1nnc2cc(Cl)ccc21
InChIInChI=1S/C16H13ClN4O/c17-11-6-8-15-14(9-11)19-20-21(15)16(22)18-13-7-5-10-3-1-2-4-12(10)13/h1-4,6,8-9,13H,5,7H2,(H,18,22)
InChIKeyFYZLLHQXMCOXHK-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.33
Rot. Bonds1

About 5-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzotriazole-1-carboxamide

5-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzotriazole-1-carboxamide (PubChem CID 58271173) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is 5-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzotriazole-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzotriazole-1-carboxamide
PubChem CID58271173
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name5-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzotriazole-1-carboxamide
SMILESO=C(NC1CCc2ccccc21)n1nnc2cc(Cl)ccc21
InChIInChI=1S/C16H13ClN4O/c17-11-6-8-15-14(9-11)19-20-21(15)16(22)18-13-7-5-10-3-1-2-4-12(10)13/h1-4,6,8-9,13H,5,7H2,(H,18,22)
InChIKeyFYZLLHQXMCOXHK-UHFFFAOYSA-N
XLogP3.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzotriazole-1-carboxamide?
The IUPAC name of 5-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzotriazole-1-carboxamide (CID 58271173) is 5-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzotriazole-1-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzotriazole-1-carboxamide?
The canonical SMILES for 5-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzotriazole-1-carboxamide is O=C(NC1CCc2ccccc21)n1nnc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzotriazole-1-carboxamide?
The InChIKey is FYZLLHQXMCOXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-11-6-8-15-14(9-11)19-20-21(15)16(22)18-13-7-5-10-3-1-2-4-12(10)13/h1-4,6,8-9,13H,5,7H2,(H,18,22).
What are the key properties of 5-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzotriazole-1-carboxamide?
5-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzotriazole-1-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzotriazole-1-carboxamide is sourced from PubChem (CID 58271173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).