N-(2,6-dichlorophenyl)-3-[4-(1-hydroxyethyl)triazol-1-yl]propanamide

C13H14Cl2N4O2 — CID 81444507

IUPACN-(2,6-dichlorophenyl)-3-[4-(1-hydroxyethyl)triazol-1-yl]propanamide
SMILESCC(O)c1cn(CCC(=O)Nc2c(Cl)cccc2Cl)nn1
InChIInChI=1S/C13H14Cl2N4O2/c1-8(20)11-7-19(18-17-11)6-5-12(21)16-13-9(14)3-2-4-10(13)15/h2-4,7-8,20H,5-6H2,1H3,(H,16,21)
InChIKeyGNAUZHZAZYEOMA-UHFFFAOYSA-N
MW329.19 g/mol
LogP2.67
Rot. Bonds5

About N-(2,6-dichlorophenyl)-3-[4-(1-hydroxyethyl)triazol-1-yl]propanamide

N-(2,6-dichlorophenyl)-3-[4-(1-hydroxyethyl)triazol-1-yl]propanamide (PubChem CID 81444507) has the molecular formula C13H14Cl2N4O2 and a molecular weight of 329.19 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-[4-(1-hydroxyethyl)triazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-[4-(1-hydroxyethyl)triazol-1-yl]propanamide
PubChem CID81444507
Molecular FormulaC13H14Cl2N4O2
Molecular Weight329.19 g/mol
Exact Mass328.05
IUPAC NameN-(2,6-dichlorophenyl)-3-[4-(1-hydroxyethyl)triazol-1-yl]propanamide
SMILESCC(O)c1cn(CCC(=O)Nc2c(Cl)cccc2Cl)nn1
InChIInChI=1S/C13H14Cl2N4O2/c1-8(20)11-7-19(18-17-11)6-5-12(21)16-13-9(14)3-2-4-10(13)15/h2-4,7-8,20H,5-6H2,1H3,(H,16,21)
InChIKeyGNAUZHZAZYEOMA-UHFFFAOYSA-N
XLogP2.67
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dichlorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555733
N-[1-[2-(2,6-dichloroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112525344
1-[1-[(2-chloro-6-fluorophenyl)methyl]triazol-4-yl]ethanol
CID 81444206
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 80735511
(1R)-1-(1-propyltriazol-4-yl)ethanol
CID 130567201
N-(4-bromo-2-chlorophenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
CID 81444684
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
1-(1-pentyltriazol-4-yl)ethanol
CID 81444188
3-[4-(aminomethyl)triazol-1-yl]-N-(2-chlorophenyl)propanamide
CID 55029571
N-(2,6-dichlorophenyl)-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111107084
N-(2,6-dichlorophenyl)-3-methylbutanamide
CID 849070

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-[4-(1-hydroxyethyl)triazol-1-yl]propanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-[4-(1-hydroxyethyl)triazol-1-yl]propanamide (CID 81444507) is N-(2,6-dichlorophenyl)-3-[4-(1-hydroxyethyl)triazol-1-yl]propanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-[4-(1-hydroxyethyl)triazol-1-yl]propanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-[4-(1-hydroxyethyl)triazol-1-yl]propanamide is CC(O)c1cn(CCC(=O)Nc2c(Cl)cccc2Cl)nn1.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-[4-(1-hydroxyethyl)triazol-1-yl]propanamide?
The InChIKey is GNAUZHZAZYEOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O2/c1-8(20)11-7-19(18-17-11)6-5-12(21)16-13-9(14)3-2-4-10(13)15/h2-4,7-8,20H,5-6H2,1H3,(H,16,21).
What are the key properties of N-(2,6-dichlorophenyl)-3-[4-(1-hydroxyethyl)triazol-1-yl]propanamide?
N-(2,6-dichlorophenyl)-3-[4-(1-hydroxyethyl)triazol-1-yl]propanamide has a molecular weight of 329.19 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-[4-(1-hydroxyethyl)triazol-1-yl]propanamide is sourced from PubChem (CID 81444507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).