2-(2-chloro-6-methoxyphenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)acetamide

C16H17ClN2O3 — CID 86793604

IUPAC2-(2-chloro-6-methoxyphenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)acetamide
SMILESCOc1cccc(Cl)c1CC(=O)NCC(O)c1ccncc1
InChIInChI=1S/C16H17ClN2O3/c1-22-15-4-2-3-13(17)12(15)9-16(21)19-10-14(20)11-5-7-18-8-6-11/h2-8,14,20H,9-10H2,1H3,(H,19,21)
InChIKeyCCBXDPCMXYLTLR-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.14
Rot. Bonds6

About 2-(2-chloro-6-methoxyphenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)acetamide

2-(2-chloro-6-methoxyphenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)acetamide (PubChem CID 86793604) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)acetamide
PubChem CID86793604
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name2-(2-chloro-6-methoxyphenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)acetamide
SMILESCOc1cccc(Cl)c1CC(=O)NCC(O)c1ccncc1
InChIInChI=1S/C16H17ClN2O3/c1-22-15-4-2-3-13(17)12(15)9-16(21)19-10-14(20)11-5-7-18-8-6-11/h2-8,14,20H,9-10H2,1H3,(H,19,21)
InChIKeyCCBXDPCMXYLTLR-UHFFFAOYSA-N
XLogP2.14
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 86263927
2-(2-chloro-6-methoxyphenyl)-N-(cyanomethyl)acetamide
CID 86815497
2-(2,6-dichlorophenyl)-N-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]acetamide
CID 47931716
2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43391266
methyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 170997137
2-[(2-chloro-6-methoxyphenyl)methylamino]-1-phenylethanol
CID 115634728
4-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]pentanoic acid
CID 120689371
2-(2,6-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686301
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103292723
2-(2,6-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911210
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 42883568
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methoxyphenoxy)acetamide
CID 110663484

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxyphenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)acetamide (CID 86793604) is 2-(2-chloro-6-methoxyphenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)acetamide is COc1cccc(Cl)c1CC(=O)NCC(O)c1ccncc1.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)acetamide?
The InChIKey is CCBXDPCMXYLTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-22-15-4-2-3-13(17)12(15)9-16(21)19-10-14(20)11-5-7-18-8-6-11/h2-8,14,20H,9-10H2,1H3,(H,19,21).
What are the key properties of 2-(2-chloro-6-methoxyphenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)acetamide?
2-(2-chloro-6-methoxyphenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)acetamide has a molecular weight of 320.78 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 86793604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).