N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide

C14H17ClN4O3 — CID 166241304

IUPACN-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCc1nn(CC(=O)NC(CO)c2ccc(Cl)cc2)c(=O)n1C
InChIInChI=1S/C14H17ClN4O3/c1-9-17-19(14(22)18(9)2)7-13(21)16-12(8-20)10-3-5-11(15)6-4-10/h3-6,12,20H,7-8H2,1-2H3,(H,16,21)
InChIKeyWFYPZZQLQWBIAT-UHFFFAOYSA-N
MW324.77 g/mol
LogP0.39
Rot. Bonds5

About N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide

N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide (PubChem CID 166241304) has the molecular formula C14H17ClN4O3 and a molecular weight of 324.77 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide
PubChem CID166241304
Molecular FormulaC14H17ClN4O3
Molecular Weight324.77 g/mol
Exact Mass324.10
IUPAC NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCc1nn(CC(=O)NC(CO)c2ccc(Cl)cc2)c(=O)n1C
InChIInChI=1S/C14H17ClN4O3/c1-9-17-19(14(22)18(9)2)7-13(21)16-12(8-20)10-3-5-11(15)6-4-10/h3-6,12,20H,7-8H2,1-2H3,(H,16,21)
InChIKeyWFYPZZQLQWBIAT-UHFFFAOYSA-N
XLogP0.39
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(1,3-dimethylpyrazol-4-yl)propanamide
CID 110004583
N-[bis(4-chlorophenyl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide
CID 86890336
N-[1-(2-chlorophenyl)propan-2-yl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 166241134
N-[(1R)-1-(4-chlorophenyl)propyl]-2-(3-methoxy-6-oxopyridazin-1-yl)acetamide
CID 99790816
2-[(4-chlorophenyl)methyl]-4,5-dimethyl-1,2,4-triazol-3-one
CID 134087386
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfanylbutanamide
CID 110004531
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 110278380
N-[1-(2-chlorophenyl)-2-hydroxyethyl]-2-[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoropropyl)-1,2,4-triazol-1-yl]acetamide
CID 91430191
2-[3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]-N-[2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 59536768
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide
CID 110278378
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 110004268
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(4-hydroxyphenyl)acetamide
CID 110004632

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide (CID 166241304) is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide is Cc1nn(CC(=O)NC(CO)c2ccc(Cl)cc2)c(=O)n1C.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is WFYPZZQLQWBIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O3/c1-9-17-19(14(22)18(9)2)7-13(21)16-12(8-20)10-3-5-11(15)6-4-10/h3-6,12,20H,7-8H2,1-2H3,(H,16,21).
What are the key properties of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 324.77 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 166241304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).