2-(2-chlorophenyl)-2-hydroxy-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide

C15H19ClN4O3 — CID 118765487

IUPAC2-(2-chlorophenyl)-2-hydroxy-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide
SMILESCOCCn1cnnc1CCNC(=O)C(O)c1ccccc1Cl
InChIInChI=1S/C15H19ClN4O3/c1-23-9-8-20-10-18-19-13(20)6-7-17-15(22)14(21)11-4-2-3-5-12(11)16/h2-5,10,14,21H,6-9H2,1H3,(H,17,22)
InChIKeyXHAWNIFZIYFCJB-UHFFFAOYSA-N
MW338.80 g/mol
LogP0.97
Rot. Bonds8

About 2-(2-chlorophenyl)-2-hydroxy-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide

2-(2-chlorophenyl)-2-hydroxy-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide (PubChem CID 118765487) has the molecular formula C15H19ClN4O3 and a molecular weight of 338.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-hydroxy-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-hydroxy-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide
PubChem CID118765487
Molecular FormulaC15H19ClN4O3
Molecular Weight338.80 g/mol
Exact Mass338.11
IUPAC Name2-(2-chlorophenyl)-2-hydroxy-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide
SMILESCOCCn1cnnc1CCNC(=O)C(O)c1ccccc1Cl
InChIInChI=1S/C15H19ClN4O3/c1-23-9-8-20-10-18-19-13(20)6-7-17-15(22)14(21)11-4-2-3-5-12(11)16/h2-5,10,14,21H,6-9H2,1H3,(H,17,22)
InChIKeyXHAWNIFZIYFCJB-UHFFFAOYSA-N
XLogP0.97
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(2-chlorophenyl)-2-hydroxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]acetamide
CID 125154769
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 91783809
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 118789537
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylethanamine
CID 62711589
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 91796163
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 157016114
(4R)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 97284500
1-ethyl-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-6-methyl-2-oxopyridine-3-carboxamide
CID 119058957
3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-1-(quinolin-4-ylmethyl)urea
CID 121495851
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3-(1-methylpyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 157012736
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 154565636
cis-(1S,2R)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 135088766

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-hydroxy-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-2-hydroxy-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide (CID 118765487) is 2-(2-chlorophenyl)-2-hydroxy-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-2-hydroxy-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-2-hydroxy-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide is COCCn1cnnc1CCNC(=O)C(O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-hydroxy-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide?
The InChIKey is XHAWNIFZIYFCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O3/c1-23-9-8-20-10-18-19-13(20)6-7-17-15(22)14(21)11-4-2-3-5-12(11)16/h2-5,10,14,21H,6-9H2,1H3,(H,17,22).
What are the key properties of 2-(2-chlorophenyl)-2-hydroxy-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide?
2-(2-chlorophenyl)-2-hydroxy-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide has a molecular weight of 338.80 g/mol, XLogP of 0.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-hydroxy-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide is sourced from PubChem (CID 118765487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).