N-(2-chlorophenyl)-2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]acetamide

C20H19ClN4O2 — CID 162642849

IUPACN-(2-chlorophenyl)-2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(COc2ccc3c(c2)CCC3)nn1)Nc1ccccc1Cl
InChIInChI=1S/C20H19ClN4O2/c21-18-6-1-2-7-19(18)22-20(26)12-25-11-16(23-24-25)13-27-17-9-8-14-4-3-5-15(14)10-17/h1-2,6-11H,3-5,12-13H2,(H,22,26)
InChIKeyWOSCMVJXTZHVNR-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.64
Rot. Bonds6

About N-(2-chlorophenyl)-2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]acetamide (PubChem CID 162642849) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]acetamide
PubChem CID162642849
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-(2-chlorophenyl)-2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(COc2ccc3c(c2)CCC3)nn1)Nc1ccccc1Cl
InChIInChI=1S/C20H19ClN4O2/c21-18-6-1-2-7-19(18)22-20(26)12-25-11-16(23-24-25)13-27-17-9-8-14-4-3-5-15(14)10-17/h1-2,6-11H,3-5,12-13H2,(H,22,26)
InChIKeyWOSCMVJXTZHVNR-UHFFFAOYSA-N
XLogP3.64
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]acetamide (CID 162642849) is N-(2-chlorophenyl)-2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]acetamide is O=C(Cn1cc(COc2ccc3c(c2)CCC3)nn1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]acetamide?
The InChIKey is WOSCMVJXTZHVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c21-18-6-1-2-7-19(18)22-20(26)12-25-11-16(23-24-25)13-27-17-9-8-14-4-3-5-15(14)10-17/h1-2,6-11H,3-5,12-13H2,(H,22,26).
What are the key properties of N-(2-chlorophenyl)-2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]acetamide has a molecular weight of 382.85 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-(2,3-dihydro-1H-inden-5-yloxymethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 162642849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).