(2R)-2-(2-chlorophenyl)-2-hydroxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]acetamide

C15H19ClN4O3 — CID 125154769

IUPAC(2R)-2-(2-chlorophenyl)-2-hydroxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]acetamide
SMILESCOCCCn1cnnc1CNC(=O)[C@H](O)c1ccccc1Cl
InChIInChI=1S/C15H19ClN4O3/c1-23-8-4-7-20-10-18-19-13(20)9-17-15(22)14(21)11-5-2-3-6-12(11)16/h2-3,5-6,10,14,21H,4,7-9H2,1H3,(H,17,22)/t14-/m1/s1
InChIKeyCHOZAOZXYKIHEZ-CQSZACIVSA-N
MW338.80 g/mol
LogP1.32
Rot. Bonds8

About (2R)-2-(2-chlorophenyl)-2-hydroxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]acetamide

(2R)-2-(2-chlorophenyl)-2-hydroxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]acetamide (PubChem CID 125154769) has the molecular formula C15H19ClN4O3 and a molecular weight of 338.80 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-hydroxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]acetamide.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-hydroxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]acetamide
PubChem CID125154769
Molecular FormulaC15H19ClN4O3
Molecular Weight338.80 g/mol
Exact Mass338.11
IUPAC Name(2R)-2-(2-chlorophenyl)-2-hydroxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]acetamide
SMILESCOCCCn1cnnc1CNC(=O)[C@H](O)c1ccccc1Cl
InChIInChI=1S/C15H19ClN4O3/c1-23-8-4-7-20-10-18-19-13(20)9-17-15(22)14(21)11-5-2-3-6-12(11)16/h2-3,5-6,10,14,21H,4,7-9H2,1H3,(H,17,22)/t14-/m1/s1
InChIKeyCHOZAOZXYKIHEZ-CQSZACIVSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-2-hydroxy-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide
CID 118765487
(1R)-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 126425312
N-(2-chlorophenyl)-2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-3-methylbutanamide
CID 78865907
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 91785470
1-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-3-[(4-methylphenyl)methyl]urea
CID 131938862
1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-methylmethanamine
CID 98013965
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]ethanesulfonamide
CID 131901484
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 131920489
N-benzyl-2-(2-chlorophenyl)-2-hydroxyacetamide
CID 54257135
N-(2,3-dichlorophenyl)-2-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 78759447
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-3-(3-methyl-4-pyridinyl)benzamide
CID 119072619
1-(2-chlorophenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]ethanol
CID 106302505

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-hydroxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]acetamide?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-hydroxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]acetamide (CID 125154769) is (2R)-2-(2-chlorophenyl)-2-hydroxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]acetamide.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-hydroxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]acetamide?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-hydroxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]acetamide is COCCCn1cnnc1CNC(=O)[C@H](O)c1ccccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-hydroxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]acetamide?
The InChIKey is CHOZAOZXYKIHEZ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19ClN4O3/c1-23-8-4-7-20-10-18-19-13(20)9-17-15(22)14(21)11-5-2-3-6-12(11)16/h2-3,5-6,10,14,21H,4,7-9H2,1H3,(H,17,22)/t14-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-hydroxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]acetamide?
(2R)-2-(2-chlorophenyl)-2-hydroxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]acetamide has a molecular weight of 338.80 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-hydroxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]acetamide is sourced from PubChem (CID 125154769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).