N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(benzotriazol-1-yl)acetamide;dihydrochloride

C17H19Cl2N5O — CID 154577752

IUPACN-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(benzotriazol-1-yl)acetamide;dihydrochloride
SMILESCl.Cl.N[C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1nnc2ccccc21
InChIInChI=1S/C17H17N5O.2ClH/c18-17-12-6-2-1-5-11(12)9-14(17)19-16(23)10-22-15-8-4-3-7-13(15)20-21-22;;/h1-8,14,17H,9-10,18H2,(H,19,23);2*1H/t14-,17-;;/m1../s1
InChIKeyZDWJELUGWHBLGY-LVVRIOTCSA-N
MW380.28 g/mol
LogP2.02
Rot. Bonds3

About N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(benzotriazol-1-yl)acetamide;dihydrochloride

N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(benzotriazol-1-yl)acetamide;dihydrochloride (PubChem CID 154577752) has the molecular formula C17H19Cl2N5O and a molecular weight of 380.28 g/mol. Its IUPAC name is N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(benzotriazol-1-yl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(benzotriazol-1-yl)acetamide;dihydrochloride
PubChem CID154577752
Molecular FormulaC17H19Cl2N5O
Molecular Weight380.28 g/mol
Exact Mass379.10
IUPAC NameN-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(benzotriazol-1-yl)acetamide;dihydrochloride
SMILESCl.Cl.N[C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1nnc2ccccc21
InChIInChI=1S/C17H17N5O.2ClH/c18-17-12-6-2-1-5-11(12)9-14(17)19-16(23)10-22-15-8-4-3-7-13(15)20-21-22;;/h1-8,14,17H,9-10,18H2,(H,19,23);2*1H/t14-,17-;;/m1../s1
InChIKeyZDWJELUGWHBLGY-LVVRIOTCSA-N
XLogP2.02
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 8025550
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2-(benzotriazol-1-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
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N-[(1R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methoxyacetamide
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CID 95179354
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-(1-methylpyrazol-4-yl)propanamide;hydrochloride
CID 154901298
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CID 23908032
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3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]propanamide
CID 72861323
2-(benzotriazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(benzotriazol-1-yl)acetamide;dihydrochloride?
The IUPAC name of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(benzotriazol-1-yl)acetamide;dihydrochloride (CID 154577752) is N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(benzotriazol-1-yl)acetamide;dihydrochloride.
What is the SMILES notation for N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(benzotriazol-1-yl)acetamide;dihydrochloride?
The canonical SMILES for N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(benzotriazol-1-yl)acetamide;dihydrochloride is Cl.Cl.N[C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1nnc2ccccc21.
What is the InChIKey of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(benzotriazol-1-yl)acetamide;dihydrochloride?
The InChIKey is ZDWJELUGWHBLGY-LVVRIOTCSA-N. The full InChI is InChI=1S/C17H17N5O.2ClH/c18-17-12-6-2-1-5-11(12)9-14(17)19-16(23)10-22-15-8-4-3-7-13(15)20-21-22;;/h1-8,14,17H,9-10,18H2,(H,19,23);2*1H/t14-,17-;;/m1../s1.
What are the key properties of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(benzotriazol-1-yl)acetamide;dihydrochloride?
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(benzotriazol-1-yl)acetamide;dihydrochloride has a molecular weight of 380.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(benzotriazol-1-yl)acetamide;dihydrochloride is sourced from PubChem (CID 154577752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).