2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[1,5-b][1,2,4]triazol-3-yl]-N-[(3-fluorophenyl)methyl]acetamide

C19H15ClFN5O3 — CID 51052499

IUPAC2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[1,5-b][1,2,4]triazol-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1c(=O)nc2n1C(=O)N(c1ccc(Cl)cc1)C2)NCc1cccc(F)c1
InChIInChI=1S/C19H15ClFN5O3/c20-13-4-6-15(7-5-13)24-10-16-23-18(28)25(26(16)19(24)29)11-17(27)22-9-12-2-1-3-14(21)8-12/h1-8H,9-11H2,(H,22,27)
InChIKeyFYKBVUGEZWWIIE-UHFFFAOYSA-N
MW415.81 g/mol
LogP2.14
Rot. Bonds5

About 2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[1,5-b][1,2,4]triazol-3-yl]-N-[(3-fluorophenyl)methyl]acetamide

2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[1,5-b][1,2,4]triazol-3-yl]-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 51052499) has the molecular formula C19H15ClFN5O3 and a molecular weight of 415.81 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[1,5-b][1,2,4]triazol-3-yl]-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[1,5-b][1,2,4]triazol-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID51052499
Molecular FormulaC19H15ClFN5O3
Molecular Weight415.81 g/mol
Exact Mass415.08
IUPAC Name2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[1,5-b][1,2,4]triazol-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1c(=O)nc2n1C(=O)N(c1ccc(Cl)cc1)C2)NCc1cccc(F)c1
InChIInChI=1S/C19H15ClFN5O3/c20-13-4-6-15(7-5-13)24-10-16-23-18(28)25(26(16)19(24)29)11-17(27)22-9-12-2-1-3-14(21)8-12/h1-8H,9-11H2,(H,22,27)
InChIKeyFYKBVUGEZWWIIE-UHFFFAOYSA-N
XLogP2.14
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.81
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide
CID 51049188
2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 47161047
(3S)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 94490782
N-(2-chlorophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide
CID 45493255
N-[(4-chlorophenyl)methyl]-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195761
N-[(4-chlorophenyl)methyl]-2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]acetamide
CID 46948860
2-[6-(4-methoxyphenyl)-3,5-dioxo-7H-imidazo[5,1-c][1,2,4]triazol-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 51138342
ethyl 3-(4-chlorophenyl)-1-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]pyrazole-5-carboxylate
CID 142314497
5-(4-chloro-3-fluorophenyl)-2-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-N,N-dimethyl-1,2,4-triazole-3-carboxamide
CID 146308551
N-[(3,4-dichlorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]acetamide
CID 3379552
N-[(4-chlorophenyl)methyl]-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9433477
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
CID 6621641

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[1,5-b][1,2,4]triazol-3-yl]-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[1,5-b][1,2,4]triazol-3-yl]-N-[(3-fluorophenyl)methyl]acetamide (CID 51052499) is 2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[1,5-b][1,2,4]triazol-3-yl]-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[1,5-b][1,2,4]triazol-3-yl]-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[1,5-b][1,2,4]triazol-3-yl]-N-[(3-fluorophenyl)methyl]acetamide is O=C(Cn1c(=O)nc2n1C(=O)N(c1ccc(Cl)cc1)C2)NCc1cccc(F)c1.
What is the InChIKey of 2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[1,5-b][1,2,4]triazol-3-yl]-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is FYKBVUGEZWWIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN5O3/c20-13-4-6-15(7-5-13)24-10-16-23-18(28)25(26(16)19(24)29)11-17(27)22-9-12-2-1-3-14(21)8-12/h1-8H,9-11H2,(H,22,27).
What are the key properties of 2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[1,5-b][1,2,4]triazol-3-yl]-N-[(3-fluorophenyl)methyl]acetamide?
2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[1,5-b][1,2,4]triazol-3-yl]-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 415.81 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[1,5-b][1,2,4]triazol-3-yl]-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 51052499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).