N-(3-chloro-4-fluorophenyl)-2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide

C14H13ClFN5O2 — CID 135950700

IUPACN-(3-chloro-4-fluorophenyl)-2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
SMILESCCc1nc2n(n1)[C@H](CC(=O)Nc1ccc(F)c(Cl)c1)C(=O)N2
InChIInChI=1S/C14H13ClFN5O2/c1-2-11-18-14-19-13(23)10(21(14)20-11)6-12(22)17-7-3-4-9(16)8(15)5-7/h3-5,10H,2,6H2,1H3,(H,17,22)(H,18,19,20,23)/t10-/m1/s1
InChIKeyZIVZMKKJNSWRNY-SNVBAGLBSA-N
MW337.74 g/mol
LogP2.15
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide

N-(3-chloro-4-fluorophenyl)-2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide (PubChem CID 135950700) has the molecular formula C14H13ClFN5O2 and a molecular weight of 337.74 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
PubChem CID135950700
Molecular FormulaC14H13ClFN5O2
Molecular Weight337.74 g/mol
Exact Mass337.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
SMILESCCc1nc2n(n1)[C@H](CC(=O)Nc1ccc(F)c(Cl)c1)C(=O)N2
InChIInChI=1S/C14H13ClFN5O2/c1-2-11-18-14-19-13(23)10(21(14)20-11)6-12(22)17-7-3-4-9(16)8(15)5-7/h3-5,10H,2,6H2,1H3,(H,17,22)(H,18,19,20,23)/t10-/m1/s1
InChIKeyZIVZMKKJNSWRNY-SNVBAGLBSA-N
XLogP2.15
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.74
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[(6S)-5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135902735
2-[(6S)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3,4-dichlorophenyl)acetamide
CID 135902225
N-(3-chloro-4-methylphenyl)-2-(2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135649906
N-(3,4-dichlorophenyl)-2-[(6R)-2-(4-methylphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135902881
N-(3,4-dichlorophenyl)-2-[(6S)-2-(4-methylphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135902882
N-(3,4-difluorophenyl)-2-[2-(4-methylphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135993921
2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3,4-dimethylphenyl)acetamide
CID 135878642
N-(3,5-dichlorophenyl)-2-(2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135635965
N-(2,5-dimethoxyphenyl)-2-(2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135649937
N-(2,5-dichlorophenyl)-2-(2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135649913
N-(4-acetylphenyl)-2-[(6R)-2-(4-chlorophenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135901994
2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 135878636

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide (CID 135950700) is N-(3-chloro-4-fluorophenyl)-2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide is CCc1nc2n(n1)[C@H](CC(=O)Nc1ccc(F)c(Cl)c1)C(=O)N2.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide?
The InChIKey is ZIVZMKKJNSWRNY-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13ClFN5O2/c1-2-11-18-14-19-13(23)10(21(14)20-11)6-12(22)17-7-3-4-9(16)8(15)5-7/h3-5,10H,2,6H2,1H3,(H,17,22)(H,18,19,20,23)/t10-/m1/s1.
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide has a molecular weight of 337.74 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[(6R)-2-ethyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide is sourced from PubChem (CID 135950700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).