2-[[2-[1-(2-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]acetyl]amino]acetamide

C18H16ClN5O3 — CID 70716185

IUPAC2-[[2-[1-(2-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]acetyl]amino]acetamide
SMILESNC(=O)CNC(=O)Cn1c(-c2ccccc2)nn(-c2ccccc2Cl)c1=O
InChIInChI=1S/C18H16ClN5O3/c19-13-8-4-5-9-14(13)24-18(27)23(11-16(26)21-10-15(20)25)17(22-24)12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,20,25)(H,21,26)
InChIKeyUHTJKXVIVAQZDP-UHFFFAOYSA-N
MW385.81 g/mol
LogP0.96
Rot. Bonds6

About 2-[[2-[1-(2-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]acetyl]amino]acetamide

2-[[2-[1-(2-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]acetyl]amino]acetamide (PubChem CID 70716185) has the molecular formula C18H16ClN5O3 and a molecular weight of 385.81 g/mol. Its IUPAC name is 2-[[2-[1-(2-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]acetyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-[1-(2-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]acetyl]amino]acetamide
PubChem CID70716185
Molecular FormulaC18H16ClN5O3
Molecular Weight385.81 g/mol
Exact Mass385.09
IUPAC Name2-[[2-[1-(2-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]acetyl]amino]acetamide
SMILESNC(=O)CNC(=O)Cn1c(-c2ccccc2)nn(-c2ccccc2Cl)c1=O
InChIInChI=1S/C18H16ClN5O3/c19-13-8-4-5-9-14(13)24-18(27)23(11-16(26)21-10-15(20)25)17(22-24)12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,20,25)(H,21,26)
InChIKeyUHTJKXVIVAQZDP-UHFFFAOYSA-N
XLogP0.96
TPSA112.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[[2-[1-(2-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]acetyl]amino]propanamide
CID 70754319
2-(2-chlorophenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-one
CID 70708002
2-[1-(4-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]-N-propylacetamide
CID 70784155
2-[[2-[5-oxo-3-phenyl-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetyl]amino]acetamide
CID 70750399
2-[1-(4-methoxyphenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]-N-(3-methylbutyl)acetamide
CID 70717122
4-ethyl-2-(2-methylphenyl)-5-phenyl-1,2,4-triazol-3-one
CID 70155466
2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 37238121
2-(3,5-diphenyl-1,2,4-triazol-4-yl)-N-hydroxyacetamide
CID 155384841
2-(4-amino-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetohydrazide
CID 1286105
1-(2-chlorophenyl)-N-(4-ethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745606
N-[2-[2-(2-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]acetamide
CID 46994346
2-[[2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]amino]acetamide
CID 7038489

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(2-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]acetyl]amino]acetamide?
The IUPAC name of 2-[[2-[1-(2-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]acetyl]amino]acetamide (CID 70716185) is 2-[[2-[1-(2-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]acetyl]amino]acetamide.
What is the SMILES notation for 2-[[2-[1-(2-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]acetyl]amino]acetamide?
The canonical SMILES for 2-[[2-[1-(2-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]acetyl]amino]acetamide is NC(=O)CNC(=O)Cn1c(-c2ccccc2)nn(-c2ccccc2Cl)c1=O.
What is the InChIKey of 2-[[2-[1-(2-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]acetyl]amino]acetamide?
The InChIKey is UHTJKXVIVAQZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O3/c19-13-8-4-5-9-14(13)24-18(27)23(11-16(26)21-10-15(20)25)17(22-24)12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,20,25)(H,21,26).
What are the key properties of 2-[[2-[1-(2-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]acetyl]amino]acetamide?
2-[[2-[1-(2-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]acetyl]amino]acetamide has a molecular weight of 385.81 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(2-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]acetyl]amino]acetamide is sourced from PubChem (CID 70716185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).