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

C13H14Cl2N6O2 — CID 112523975

IUPACN-(2,4-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide
SMILESCN(C)C(=O)Nc1cnn(CC(=O)Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H14Cl2N6O2/c1-20(2)13(23)18-11-6-16-21(19-11)7-12(22)17-10-4-3-8(14)5-9(10)15/h3-6H,7H2,1-2H3,(H,17,22)(H,18,19,23)
InChIKeyJXBBIFLBNIFNJV-UHFFFAOYSA-N
MW357.20 g/mol
LogP2.32
Rot. Bonds4

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

N-(2,4-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide (PubChem CID 112523975) has the molecular formula C13H14Cl2N6O2 and a molecular weight of 357.20 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide
PubChem CID112523975
Molecular FormulaC13H14Cl2N6O2
Molecular Weight357.20 g/mol
Exact Mass356.06
IUPAC NameN-(2,4-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide
SMILESCN(C)C(=O)Nc1cnn(CC(=O)Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H14Cl2N6O2/c1-20(2)13(23)18-11-6-16-21(19-11)7-12(22)17-10-4-3-8(14)5-9(10)15/h3-6H,7H2,1-2H3,(H,17,22)(H,18,19,23)
InChIKeyJXBBIFLBNIFNJV-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

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide
CID 112521261
2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-methyl-1H-indol-4-yl)acetamide
CID 112526516
2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-methyl-1H-indol-7-yl)acetamide
CID 112526816
N-benzyl-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide
CID 112520099
N-(2,4-dichlorophenyl)propanamide
CID 923083
methyl 4-[2-(2,4-dichloroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 78900235
2-[butyl(ethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 78821204
N-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35591649
N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676
N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 884679
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225
2-[bis(2-hydroxyethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 18870879

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide (CID 112523975) is N-(2,4-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide is CN(C)C(=O)Nc1cnn(CC(=O)Nc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide?
The InChIKey is JXBBIFLBNIFNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N6O2/c1-20(2)13(23)18-11-6-16-21(19-11)7-12(22)17-10-4-3-8(14)5-9(10)15/h3-6H,7H2,1-2H3,(H,17,22)(H,18,19,23).
What are the key properties of N-(2,4-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide?
N-(2,4-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-2-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-(2,4-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide is sourced from PubChem (CID 112523975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).