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

C13H15Cl2N5O — CID 106228283

IUPAC2-[4-(1-aminopropyl)triazol-1-yl]-N-(2,3-dichlorophenyl)acetamide
SMILESCCC(N)c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
InChIInChI=1S/C13H15Cl2N5O/c1-2-9(16)11-6-20(19-18-11)7-12(21)17-10-5-3-4-8(14)13(10)15/h3-6,9H,2,7,16H2,1H3,(H,17,21)
InChIKeyUJPPVWKOMUXNKS-UHFFFAOYSA-N
MW328.20 g/mol
LogP2.63
Rot. Bonds5

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

2-[4-(1-aminopropyl)triazol-1-yl]-N-(2,3-dichlorophenyl)acetamide (PubChem CID 106228283) has the molecular formula C13H15Cl2N5O and a molecular weight of 328.20 g/mol. Its IUPAC name is 2-[4-(1-aminopropyl)triazol-1-yl]-N-(2,3-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-aminopropyl)triazol-1-yl]-N-(2,3-dichlorophenyl)acetamide
PubChem CID106228283
Molecular FormulaC13H15Cl2N5O
Molecular Weight328.20 g/mol
Exact Mass327.07
IUPAC Name2-[4-(1-aminopropyl)triazol-1-yl]-N-(2,3-dichlorophenyl)acetamide
SMILESCCC(N)c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1
InChIInChI=1S/C13H15Cl2N5O/c1-2-9(16)11-6-20(19-18-11)7-12(21)17-10-5-3-4-8(14)13(10)15/h3-6,9H,2,7,16H2,1H3,(H,17,21)
InChIKeyUJPPVWKOMUXNKS-UHFFFAOYSA-N
XLogP2.63
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-aminopropyl)triazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 106227786
2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 106227595
2-[4-(1-aminopropyl)triazol-1-yl]-N-(5-bromo-2-pyridinyl)acetamide
CID 106227521
2-[4-(1-aminopropyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 106228504
2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 114420083
2-[4-(aminomethyl)triazol-1-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 62053803
2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 114419929
N-(2-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112520440
2-[4-(1-aminobutyl)triazol-1-yl]-N-phenylacetamide
CID 106229529
2-[4-(1-aminopropyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 106228496
N-(2-acetylphenyl)-2-[4-(1-aminoethyl)triazol-1-yl]acetamide
CID 114419537
2-[4-(1-aminopropyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 106227941

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminopropyl)triazol-1-yl]-N-(2,3-dichlorophenyl)acetamide?
The IUPAC name of 2-[4-(1-aminopropyl)triazol-1-yl]-N-(2,3-dichlorophenyl)acetamide (CID 106228283) is 2-[4-(1-aminopropyl)triazol-1-yl]-N-(2,3-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(1-aminopropyl)triazol-1-yl]-N-(2,3-dichlorophenyl)acetamide?
The canonical SMILES for 2-[4-(1-aminopropyl)triazol-1-yl]-N-(2,3-dichlorophenyl)acetamide is CCC(N)c1cn(CC(=O)Nc2cccc(Cl)c2Cl)nn1.
What is the InChIKey of 2-[4-(1-aminopropyl)triazol-1-yl]-N-(2,3-dichlorophenyl)acetamide?
The InChIKey is UJPPVWKOMUXNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N5O/c1-2-9(16)11-6-20(19-18-11)7-12(21)17-10-5-3-4-8(14)13(10)15/h3-6,9H,2,7,16H2,1H3,(H,17,21).
What are the key properties of 2-[4-(1-aminopropyl)triazol-1-yl]-N-(2,3-dichlorophenyl)acetamide?
2-[4-(1-aminopropyl)triazol-1-yl]-N-(2,3-dichlorophenyl)acetamide has a molecular weight of 328.20 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminopropyl)triazol-1-yl]-N-(2,3-dichlorophenyl)acetamide is sourced from PubChem (CID 106228283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).