(2S)-2-(2-chlorophenyl)-2-hydroxy-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide

C12H13ClN4O3 — CID 136890763

IUPAC(2S)-2-(2-chlorophenyl)-2-hydroxy-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESO=C(NCCc1n[nH]c(=O)[nH]1)[C@@H](O)c1ccccc1Cl
InChIInChI=1S/C12H13ClN4O3/c13-8-4-2-1-3-7(8)10(18)11(19)14-6-5-9-15-12(20)17-16-9/h1-4,10,18H,5-6H2,(H,14,19)(H2,15,16,17,20)/t10-/m0/s1
InChIKeyJGPGEGYBPQALFV-JTQLQIEISA-N
MW296.71 g/mol
LogP0.14
Rot. Bonds5

About (2S)-2-(2-chlorophenyl)-2-hydroxy-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide

(2S)-2-(2-chlorophenyl)-2-hydroxy-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 136890763) has the molecular formula C12H13ClN4O3 and a molecular weight of 296.71 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenyl)-2-hydroxy-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenyl)-2-hydroxy-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID136890763
Molecular FormulaC12H13ClN4O3
Molecular Weight296.71 g/mol
Exact Mass296.07
IUPAC Name(2S)-2-(2-chlorophenyl)-2-hydroxy-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESO=C(NCCc1n[nH]c(=O)[nH]1)[C@@H](O)c1ccccc1Cl
InChIInChI=1S/C12H13ClN4O3/c13-8-4-2-1-3-7(8)10(18)11(19)14-6-5-9-15-12(20)17-16-9/h1-4,10,18H,5-6H2,(H,14,19)(H2,15,16,17,20)/t10-/m0/s1
InChIKeyJGPGEGYBPQALFV-JTQLQIEISA-N
XLogP0.14
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(2-chlorophenyl)-2-hydroxy-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide with MolForge

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Related Compounds

(2R)-2-(dimethylamino)-2-(2-methylphenyl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
CID 136804341
(2R)-N-[2-(benzenesulfinyl)ethyl]-2-(2-chlorophenyl)-2-hydroxyacetamide
CID 75395234
2-(2-chlorophenyl)-2-hydroxy-N-methylacetamide
CID 23548439
N-benzyl-2-(2-chlorophenyl)-2-hydroxyacetamide
CID 54257135
(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
CID 136829812
2-(2-chlorophenyl)-2-hydroxy-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide
CID 118765487
(2R)-2-(2-chlorophenyl)-2-hydroxy-N-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]acetamide
CID 124614262
N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-2-(2,2,2-trifluoro-1-phenylethoxy)acetamide
CID 136664838
N-[(2-chlorophenyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832010
2-(2-chlorophenyl)-2-hydroxy-N-[[1-(methoxymethyl)cyclopentyl]methyl]acetamide
CID 91765732
(3R)-3-(2-chlorophenyl)-N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-3-phenylpropanamide
CID 97280495
(2S)-2-methoxy-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide
CID 136728323

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenyl)-2-hydroxy-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of (2S)-2-(2-chlorophenyl)-2-hydroxy-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide (CID 136890763) is (2S)-2-(2-chlorophenyl)-2-hydroxy-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for (2S)-2-(2-chlorophenyl)-2-hydroxy-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for (2S)-2-(2-chlorophenyl)-2-hydroxy-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide is O=C(NCCc1n[nH]c(=O)[nH]1)[C@@H](O)c1ccccc1Cl.
What is the InChIKey of (2S)-2-(2-chlorophenyl)-2-hydroxy-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is JGPGEGYBPQALFV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13ClN4O3/c13-8-4-2-1-3-7(8)10(18)11(19)14-6-5-9-15-12(20)17-16-9/h1-4,10,18H,5-6H2,(H,14,19)(H2,15,16,17,20)/t10-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenyl)-2-hydroxy-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide?
(2S)-2-(2-chlorophenyl)-2-hydroxy-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 296.71 g/mol, XLogP of 0.14, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenyl)-2-hydroxy-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 136890763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).