2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide

C15H16FNO2S — CID 71781674

IUPAC2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide
SMILESCc1ccsc1C(O)CNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H16FNO2S/c1-10-6-7-20-15(10)13(18)9-17-14(19)8-11-2-4-12(16)5-3-11/h2-7,13,18H,8-9H2,1H3,(H,17,19)
InChIKeyNRDRIHNQGLFIER-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.59
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide

2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide (PubChem CID 71781674) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide
PubChem CID71781674
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide
SMILESCc1ccsc1C(O)CNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C15H16FNO2S/c1-10-6-7-20-15(10)13(18)9-17-14(19)8-11-2-4-12(16)5-3-11/h2-7,13,18H,8-9H2,1H3,(H,17,19)
InChIKeyNRDRIHNQGLFIER-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide (CID 71781674) is 2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide is Cc1ccsc1C(O)CNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide?
The InChIKey is NRDRIHNQGLFIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-10-6-7-20-15(10)13(18)9-17-14(19)8-11-2-4-12(16)5-3-11/h2-7,13,18H,8-9H2,1H3,(H,17,19).
What are the key properties of 2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide?
2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide has a molecular weight of 293.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide is sourced from PubChem (CID 71781674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).