2-[1-(4-chlorophenyl)-3-(furan-2-yl)-5-oxo-1,2,4-triazol-4-yl]-N-methyl-N-propan-2-ylacetamide

C18H19ClN4O3 — CID 70721436

IUPAC2-[1-(4-chlorophenyl)-3-(furan-2-yl)-5-oxo-1,2,4-triazol-4-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1c(-c2ccco2)nn(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C18H19ClN4O3/c1-12(2)21(3)16(24)11-22-17(15-5-4-10-26-15)20-23(18(22)25)14-8-6-13(19)7-9-14/h4-10,12H,11H2,1-3H3
InChIKeyNUKRRYCSXKIDMG-UHFFFAOYSA-N
MW374.83 g/mol
LogP2.81
Rot. Bonds5

About 2-[1-(4-chlorophenyl)-3-(furan-2-yl)-5-oxo-1,2,4-triazol-4-yl]-N-methyl-N-propan-2-ylacetamide

2-[1-(4-chlorophenyl)-3-(furan-2-yl)-5-oxo-1,2,4-triazol-4-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 70721436) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-3-(furan-2-yl)-5-oxo-1,2,4-triazol-4-yl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-3-(furan-2-yl)-5-oxo-1,2,4-triazol-4-yl]-N-methyl-N-propan-2-ylacetamide
PubChem CID70721436
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name2-[1-(4-chlorophenyl)-3-(furan-2-yl)-5-oxo-1,2,4-triazol-4-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1c(-c2ccco2)nn(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C18H19ClN4O3/c1-12(2)21(3)16(24)11-22-17(15-5-4-10-26-15)20-23(18(22)25)14-8-6-13(19)7-9-14/h4-10,12H,11H2,1-3H3
InChIKeyNUKRRYCSXKIDMG-UHFFFAOYSA-N
XLogP2.81
TPSA73.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-3-(furan-2-yl)-5-oxo-1,2,4-triazol-4-yl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)-3-(furan-2-yl)-5-oxo-1,2,4-triazol-4-yl]-N-methyl-N-propan-2-ylacetamide (CID 70721436) is 2-[1-(4-chlorophenyl)-3-(furan-2-yl)-5-oxo-1,2,4-triazol-4-yl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-3-(furan-2-yl)-5-oxo-1,2,4-triazol-4-yl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)-3-(furan-2-yl)-5-oxo-1,2,4-triazol-4-yl]-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)Cn1c(-c2ccco2)nn(-c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 2-[1-(4-chlorophenyl)-3-(furan-2-yl)-5-oxo-1,2,4-triazol-4-yl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is NUKRRYCSXKIDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c1-12(2)21(3)16(24)11-22-17(15-5-4-10-26-15)20-23(18(22)25)14-8-6-13(19)7-9-14/h4-10,12H,11H2,1-3H3.
What are the key properties of 2-[1-(4-chlorophenyl)-3-(furan-2-yl)-5-oxo-1,2,4-triazol-4-yl]-N-methyl-N-propan-2-ylacetamide?
2-[1-(4-chlorophenyl)-3-(furan-2-yl)-5-oxo-1,2,4-triazol-4-yl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 374.83 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-3-(furan-2-yl)-5-oxo-1,2,4-triazol-4-yl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 70721436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).