2-(4-acetamidotriazol-1-yl)-N-[(3-chlorophenyl)methyl]acetamide

C13H14ClN5O2 — CID 112528375

IUPAC2-(4-acetamidotriazol-1-yl)-N-[(3-chlorophenyl)methyl]acetamide
SMILESCC(=O)Nc1cn(CC(=O)NCc2cccc(Cl)c2)nn1
InChIInChI=1S/C13H14ClN5O2/c1-9(20)16-12-7-19(18-17-12)8-13(21)15-6-10-3-2-4-11(14)5-10/h2-5,7H,6,8H2,1H3,(H,15,21)(H,16,20)
InChIKeyJRNOELIJJMVMLO-UHFFFAOYSA-N
MW307.74 g/mol
LogP1.21
Rot. Bonds5

About 2-(4-acetamidotriazol-1-yl)-N-[(3-chlorophenyl)methyl]acetamide

2-(4-acetamidotriazol-1-yl)-N-[(3-chlorophenyl)methyl]acetamide (PubChem CID 112528375) has the molecular formula C13H14ClN5O2 and a molecular weight of 307.74 g/mol. Its IUPAC name is 2-(4-acetamidotriazol-1-yl)-N-[(3-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidotriazol-1-yl)-N-[(3-chlorophenyl)methyl]acetamide
PubChem CID112528375
Molecular FormulaC13H14ClN5O2
Molecular Weight307.74 g/mol
Exact Mass307.08
IUPAC Name2-(4-acetamidotriazol-1-yl)-N-[(3-chlorophenyl)methyl]acetamide
SMILESCC(=O)Nc1cn(CC(=O)NCc2cccc(Cl)c2)nn1
InChIInChI=1S/C13H14ClN5O2/c1-9(20)16-12-7-19(18-17-12)8-13(21)15-6-10-3-2-4-11(14)5-10/h2-5,7H,6,8H2,1H3,(H,15,21)(H,16,20)
InChIKeyJRNOELIJJMVMLO-UHFFFAOYSA-N
XLogP1.21
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetamidotriazol-1-yl)-N-benzylacetamide
CID 112520101
1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66290374
2-(4-acetamidotriazol-1-yl)-N-[(2,6-difluorophenyl)methyl]acetamide
CID 112522503
2-(4-acetamidotriazol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112522032
2-(4-acetamidotriazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 112529522
N-[1-[2-(3-chloroanilino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112521123
2-methyl-N-[1-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]triazol-4-yl]propanamide
CID 112522212
N-[(3-chlorophenyl)methyl]-2-(5-ethyltetrazol-1-yl)acetamide
CID 47068654
N-[2-(3-chlorophenyl)ethyl]-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 62399790
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
2-(4-acetamidotriazol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 112528878
N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 8900692

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidotriazol-1-yl)-N-[(3-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(4-acetamidotriazol-1-yl)-N-[(3-chlorophenyl)methyl]acetamide (CID 112528375) is 2-(4-acetamidotriazol-1-yl)-N-[(3-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-acetamidotriazol-1-yl)-N-[(3-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-acetamidotriazol-1-yl)-N-[(3-chlorophenyl)methyl]acetamide is CC(=O)Nc1cn(CC(=O)NCc2cccc(Cl)c2)nn1.
What is the InChIKey of 2-(4-acetamidotriazol-1-yl)-N-[(3-chlorophenyl)methyl]acetamide?
The InChIKey is JRNOELIJJMVMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O2/c1-9(20)16-12-7-19(18-17-12)8-13(21)15-6-10-3-2-4-11(14)5-10/h2-5,7H,6,8H2,1H3,(H,15,21)(H,16,20).
What are the key properties of 2-(4-acetamidotriazol-1-yl)-N-[(3-chlorophenyl)methyl]acetamide?
2-(4-acetamidotriazol-1-yl)-N-[(3-chlorophenyl)methyl]acetamide has a molecular weight of 307.74 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidotriazol-1-yl)-N-[(3-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 112528375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).