N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide

C20H19ClN6O2 — CID 9329233

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
SMILESO=C(CNc1ccccc1N1CCCC1=O)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C20H19ClN6O2/c21-14-7-8-18(27-13-22-12-24-27)16(10-14)25-19(28)11-23-15-4-1-2-5-17(15)26-9-3-6-20(26)29/h1-2,4-5,7-8,10,12-13,23H,3,6,9,11H2,(H,25,28)
InChIKeyUPXNDIXWKVASOP-UHFFFAOYSA-N
MW410.87 g/mol
LogP3.10
Rot. Bonds6

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide (PubChem CID 9329233) has the molecular formula C20H19ClN6O2 and a molecular weight of 410.87 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
PubChem CID9329233
Molecular FormulaC20H19ClN6O2
Molecular Weight410.87 g/mol
Exact Mass410.13
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
SMILESO=C(CNc1ccccc1N1CCCC1=O)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C20H19ClN6O2/c21-14-7-8-18(27-13-22-12-24-27)16(10-14)25-19(28)11-23-15-4-1-2-5-17(15)26-9-3-6-20(26)29/h1-2,4-5,7-8,10,12-13,23H,3,6,9,11H2,(H,25,28)
InChIKeyUPXNDIXWKVASOP-UHFFFAOYSA-N
XLogP3.10
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.87
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide (CID 9329233) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide is O=C(CNc1ccccc1N1CCCC1=O)Nc1cc(Cl)ccc1-n1cncn1.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide?
The InChIKey is UPXNDIXWKVASOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O2/c21-14-7-8-18(27-13-22-12-24-27)16(10-14)25-19(28)11-23-15-4-1-2-5-17(15)26-9-3-6-20(26)29/h1-2,4-5,7-8,10,12-13,23H,3,6,9,11H2,(H,25,28).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide has a molecular weight of 410.87 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide is sourced from PubChem (CID 9329233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).