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

C18H14ClN5O3 — CID 45493255

IUPACN-(2-chlorophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2)Nc1ccccc1Cl
InChIInChI=1S/C18H14ClN5O3/c19-13-8-4-5-9-14(13)20-16(25)11-23-17(26)21-15-10-22(18(27)24(15)23)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,25)
InChIKeyKCTGITKKFOUJQD-UHFFFAOYSA-N
MW383.80 g/mol
LogP2.33
Rot. Bonds4

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

N-(2-chlorophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide (PubChem CID 45493255) has the molecular formula C18H14ClN5O3 and a molecular weight of 383.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide
PubChem CID45493255
Molecular FormulaC18H14ClN5O3
Molecular Weight383.80 g/mol
Exact Mass383.08
IUPAC NameN-(2-chlorophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2)Nc1ccccc1Cl
InChIInChI=1S/C18H14ClN5O3/c19-13-8-4-5-9-14(13)20-16(25)11-23-17(26)21-15-10-22(18(27)24(15)23)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,25)
InChIKeyKCTGITKKFOUJQD-UHFFFAOYSA-N
XLogP2.33
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.80
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 17034752
1-[2-(2-chloroanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxylic acid
CID 114696103
1-[2-(2-chloroanilino)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid
CID 107439604
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208434
N-(2-chlorophenyl)-2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)acetamide
CID 1444490
N-(2-chlorophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 115774389
N-(2-chlorophenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
CID 8721690
N-(2-chlorophenyl)-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 87022378
1-[2-(2-chloroanilino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid
CID 62874491
2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
CID 71330084

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide (CID 45493255) is N-(2-chlorophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide is O=C(Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide?
The InChIKey is KCTGITKKFOUJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O3/c19-13-8-4-5-9-14(13)20-16(25)11-23-17(26)21-15-10-22(18(27)24(15)23)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,25).
What are the key properties of N-(2-chlorophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide?
N-(2-chlorophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide has a molecular weight of 383.80 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide is sourced from PubChem (CID 45493255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).