N-(2-chloroprop-2-enyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

C17H19ClN4O2 — CID 86783832

IUPACN-(2-chloroprop-2-enyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESC=C(Cl)CN(C(=O)Cn1ncn(C)c1=O)C1CCc2ccccc21
InChIInChI=1S/C17H19ClN4O2/c1-12(18)9-21(15-8-7-13-5-3-4-6-14(13)15)16(23)10-22-17(24)20(2)11-19-22/h3-6,11,15H,1,7-10H2,2H3
InChIKeyOOJFDWZVFAXELK-UHFFFAOYSA-N
MW346.82 g/mol
LogP1.85
Rot. Bonds5

About N-(2-chloroprop-2-enyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

N-(2-chloroprop-2-enyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (PubChem CID 86783832) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
PubChem CID86783832
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC NameN-(2-chloroprop-2-enyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESC=C(Cl)CN(C(=O)Cn1ncn(C)c1=O)C1CCc2ccccc21
InChIInChI=1S/C17H19ClN4O2/c1-12(18)9-21(15-8-7-13-5-3-4-6-14(13)15)16(23)10-22-17(24)20(2)11-19-22/h3-6,11,15H,1,7-10H2,2H3
InChIKeyOOJFDWZVFAXELK-UHFFFAOYSA-N
XLogP1.85
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (CID 86783832) is N-(2-chloroprop-2-enyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is C=C(Cl)CN(C(=O)Cn1ncn(C)c1=O)C1CCc2ccccc21.
What is the InChIKey of N-(2-chloroprop-2-enyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is OOJFDWZVFAXELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-12(18)9-21(15-8-7-13-5-3-4-6-14(13)15)16(23)10-22-17(24)20(2)11-19-22/h3-6,11,15H,1,7-10H2,2H3.
What are the key properties of N-(2-chloroprop-2-enyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
N-(2-chloroprop-2-enyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 346.82 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 86783832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).