2-[1-(4-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]-N-propylacetamide

C19H19ClN4O2 — CID 70784155

IUPAC2-[1-(4-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(-c2ccccc2)nn(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C19H19ClN4O2/c1-2-12-21-17(25)13-23-18(14-6-4-3-5-7-14)22-24(19(23)26)16-10-8-15(20)9-11-16/h3-11H,2,12-13H2,1H3,(H,21,25)
InChIKeyCWCUIVHVHFXMEZ-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.88
Rot. Bonds6

About 2-[1-(4-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]-N-propylacetamide

2-[1-(4-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]-N-propylacetamide (PubChem CID 70784155) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]-N-propylacetamide
PubChem CID70784155
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name2-[1-(4-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(-c2ccccc2)nn(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C19H19ClN4O2/c1-2-12-21-17(25)13-23-18(14-6-4-3-5-7-14)22-24(19(23)26)16-10-8-15(20)9-11-16/h3-11H,2,12-13H2,1H3,(H,21,25)
InChIKeyCWCUIVHVHFXMEZ-UHFFFAOYSA-N
XLogP2.88
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-methoxyphenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]-N-(3-methylbutyl)acetamide
CID 70717122
2-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]-N-[2-(5-methylfuran-2-yl)ethyl]acetamide
CID 70718190
2-[[2-[1-(2-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]acetyl]amino]acetamide
CID 70716185
2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-propylacetamide
CID 14390236
N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-6-oxo-1,3-diphenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 22575738
2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide
CID 43567559
1-(4-chlorophenyl)-N,N-diethyl-5-phenyl-1,2,4-triazole-3-carboxamide
CID 1211362
(2S)-2-[[2-[1-(2-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]acetyl]amino]propanamide
CID 70754319
N'-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-N-hexylpentanediamide
CID 4275920
2-(3,7-dibenzyl-2,6-dioxopurin-1-yl)-N-propylacetamide
CID 112773960
2-[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 4002327
2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-propylacetamide
CID 20953619

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]-N-propylacetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]-N-propylacetamide (CID 70784155) is 2-[1-(4-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]-N-propylacetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]-N-propylacetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]-N-propylacetamide is CCCNC(=O)Cn1c(-c2ccccc2)nn(-c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 2-[1-(4-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]-N-propylacetamide?
The InChIKey is CWCUIVHVHFXMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-2-12-21-17(25)13-23-18(14-6-4-3-5-7-14)22-24(19(23)26)16-10-8-15(20)9-11-16/h3-11H,2,12-13H2,1H3,(H,21,25).
What are the key properties of 2-[1-(4-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]-N-propylacetamide?
2-[1-(4-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]-N-propylacetamide has a molecular weight of 370.84 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]-N-propylacetamide is sourced from PubChem (CID 70784155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).