N-[5-(2,5-dichlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(diethylamino)acetamide

C14H17Cl2N5O — CID 154801175

IUPACN-[5-(2,5-dichlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1n[nH]c(-c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C14H17Cl2N5O/c1-3-21(4-2)8-12(22)17-14-18-13(19-20-14)10-7-9(15)5-6-11(10)16/h5-7H,3-4,8H2,1-2H3,(H2,17,18,19,20,22)
InChIKeyQJKVSWMPQUQMML-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.06
Rot. Bonds6

About N-[5-(2,5-dichlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(diethylamino)acetamide

N-[5-(2,5-dichlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(diethylamino)acetamide (PubChem CID 154801175) has the molecular formula C14H17Cl2N5O and a molecular weight of 342.23 g/mol. Its IUPAC name is N-[5-(2,5-dichlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(diethylamino)acetamide.

Molecular Properties

Compound NameN-[5-(2,5-dichlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(diethylamino)acetamide
PubChem CID154801175
Molecular FormulaC14H17Cl2N5O
Molecular Weight342.23 g/mol
Exact Mass341.08
IUPAC NameN-[5-(2,5-dichlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1n[nH]c(-c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C14H17Cl2N5O/c1-3-21(4-2)8-12(22)17-14-18-13(19-20-14)10-7-9(15)5-6-11(10)16/h5-7H,3-4,8H2,1-2H3,(H2,17,18,19,20,22)
InChIKeyQJKVSWMPQUQMML-UHFFFAOYSA-N
XLogP3.06
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride
CID 131885103
4-chloro-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-(diethylsulfamoyl)benzamide
CID 60514755
2-[[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide
CID 78826629
N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylsulfonylpropanamide
CID 75419606
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 9027460
5-chloro-2-fluoro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 86980358
3-chloro-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]benzamide
CID 55850055
2-(diethylamino)-N-naphthalen-2-ylacetamide
CID 44883479
2-[butyl(ethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 78821204
2-(3-chlorophenyl)-N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-methyltriazole-4-carboxamide
CID 78878389
2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 2522121
2-(3-chloro-4-fluorophenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 11537271

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dichlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(diethylamino)acetamide?
The IUPAC name of N-[5-(2,5-dichlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(diethylamino)acetamide (CID 154801175) is N-[5-(2,5-dichlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(diethylamino)acetamide.
What is the SMILES notation for N-[5-(2,5-dichlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(diethylamino)acetamide?
The canonical SMILES for N-[5-(2,5-dichlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(diethylamino)acetamide is CCN(CC)CC(=O)Nc1n[nH]c(-c2cc(Cl)ccc2Cl)n1.
What is the InChIKey of N-[5-(2,5-dichlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(diethylamino)acetamide?
The InChIKey is QJKVSWMPQUQMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N5O/c1-3-21(4-2)8-12(22)17-14-18-13(19-20-14)10-7-9(15)5-6-11(10)16/h5-7H,3-4,8H2,1-2H3,(H2,17,18,19,20,22).
What are the key properties of N-[5-(2,5-dichlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(diethylamino)acetamide?
N-[5-(2,5-dichlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(diethylamino)acetamide has a molecular weight of 342.23 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dichlorophenyl)-1H-1,2,4-triazol-3-yl]-2-(diethylamino)acetamide is sourced from PubChem (CID 154801175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).