N-[1-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide

C13H14Cl2N4O2 — CID 138035295

IUPACN-[1-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCc1nc(CC(=O)NC(CO)c2c(Cl)cccc2Cl)n[nH]1
InChIInChI=1S/C13H14Cl2N4O2/c1-7-16-11(19-18-7)5-12(21)17-10(6-20)13-8(14)3-2-4-9(13)15/h2-4,10,20H,5-6H2,1H3,(H,17,21)(H,16,18,19)
InChIKeyUVHUSGRSOXEUEV-UHFFFAOYSA-N
MW329.19 g/mol
LogP1.81
Rot. Bonds5

About N-[1-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide

N-[1-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide (PubChem CID 138035295) has the molecular formula C13H14Cl2N4O2 and a molecular weight of 329.19 g/mol. Its IUPAC name is N-[1-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
PubChem CID138035295
Molecular FormulaC13H14Cl2N4O2
Molecular Weight329.19 g/mol
Exact Mass328.05
IUPAC NameN-[1-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCc1nc(CC(=O)NC(CO)c2c(Cl)cccc2Cl)n[nH]1
InChIInChI=1S/C13H14Cl2N4O2/c1-7-16-11(19-18-7)5-12(21)17-10(6-20)13-8(14)3-2-4-9(13)15/h2-4,10,20H,5-6H2,1H3,(H,17,21)(H,16,18,19)
InChIKeyUVHUSGRSOXEUEV-UHFFFAOYSA-N
XLogP1.81
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64512958
2-chloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 64511177
3-chloro-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 107097940
3-(2-chlorophenyl)-1-methyl-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]urea
CID 64512285
3-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide
CID 45206269
1-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
CID 115645203
N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 136586447
1-[(4-chloro-2,5-difluorophenyl)methyl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]urea
CID 146140533
N-(2,3-dichlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 966905
2-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64510602
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 107861491
potassium 2-(5-methyl-1H-1,2,4-triazol-3-yl)acetate
CID 18739525

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of N-[1-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide (CID 138035295) is N-[1-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for N-[1-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for N-[1-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide is Cc1nc(CC(=O)NC(CO)c2c(Cl)cccc2Cl)n[nH]1.
What is the InChIKey of N-[1-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide?
The InChIKey is UVHUSGRSOXEUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O2/c1-7-16-11(19-18-7)5-12(21)17-10(6-20)13-8(14)3-2-4-9(13)15/h2-4,10,20H,5-6H2,1H3,(H,17,21)(H,16,18,19).
What are the key properties of N-[1-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide?
N-[1-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide has a molecular weight of 329.19 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 138035295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).