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

C13H14Cl2N6O2 — CID 112525388

IUPACN-(3,5-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide
SMILESCN(C)C(=O)Nc1cn(CC(=O)Nc2cc(Cl)cc(Cl)c2)nn1
InChIInChI=1S/C13H14Cl2N6O2/c1-20(2)13(23)17-11-6-21(19-18-11)7-12(22)16-10-4-8(14)3-9(15)5-10/h3-6H,7H2,1-2H3,(H,16,22)(H,17,23)
InChIKeyZZSZKWVGHCIUMS-UHFFFAOYSA-N
MW357.20 g/mol
LogP2.32
Rot. Bonds4

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

N-(3,5-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide (PubChem CID 112525388) has the molecular formula C13H14Cl2N6O2 and a molecular weight of 357.20 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide
PubChem CID112525388
Molecular FormulaC13H14Cl2N6O2
Molecular Weight357.20 g/mol
Exact Mass356.06
IUPAC NameN-(3,5-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide
SMILESCN(C)C(=O)Nc1cn(CC(=O)Nc2cc(Cl)cc(Cl)c2)nn1
InChIInChI=1S/C13H14Cl2N6O2/c1-20(2)13(23)17-11-6-21(19-18-11)7-12(22)16-10-4-8(14)3-9(15)5-10/h3-6H,7H2,1-2H3,(H,16,22)(H,17,23)
InChIKeyZZSZKWVGHCIUMS-UHFFFAOYSA-N
XLogP2.32
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112525385
N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112525391
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide
CID 112524244
N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide
CID 112520798
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N,N-dimethylacetamide
CID 112530623
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 112524804
N-[1-[2-(3-chloroanilino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112521123
methyl N-[1-[2-(4-chloroanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112521038
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-pyrrolidin-3-ylacetamide
CID 112530841
N-(3-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112521121
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 112522698
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide
CID 112522077

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide (CID 112525388) is N-(3,5-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide is CN(C)C(=O)Nc1cn(CC(=O)Nc2cc(Cl)cc(Cl)c2)nn1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide?
The InChIKey is ZZSZKWVGHCIUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N6O2/c1-20(2)13(23)17-11-6-21(19-18-11)7-12(22)16-10-4-8(14)3-9(15)5-10/h3-6H,7H2,1-2H3,(H,16,22)(H,17,23).
What are the key properties of N-(3,5-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide?
N-(3,5-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide has a molecular weight of 357.20 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide is sourced from PubChem (CID 112525388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).