N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide

C19H18FNO2S — CID 86263945

IUPACN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide
SMILESCC(O)(CNC(=O)Cc1ccc(F)cc1)c1cc2ccccc2s1
InChIInChI=1S/C19H18FNO2S/c1-19(23,17-11-14-4-2-3-5-16(14)24-17)12-21-18(22)10-13-6-8-15(20)9-7-13/h2-9,11,23H,10,12H2,1H3,(H,21,22)
InChIKeyJADSURABKXWRFD-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.61
Rot. Bonds5

About N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide

N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide (PubChem CID 86263945) has the molecular formula C19H18FNO2S and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide
PubChem CID86263945
Molecular FormulaC19H18FNO2S
Molecular Weight343.42 g/mol
Exact Mass343.10
IUPAC NameN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide
SMILESCC(O)(CNC(=O)Cc1ccc(F)cc1)c1cc2ccccc2s1
InChIInChI=1S/C19H18FNO2S/c1-19(23,17-11-14-4-2-3-5-16(14)24-17)12-21-18(22)10-13-6-8-15(20)9-7-13/h2-9,11,23H,10,12H2,1H3,(H,21,22)
InChIKeyJADSURABKXWRFD-UHFFFAOYSA-N
XLogP3.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide (CID 86263945) is N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide is CC(O)(CNC(=O)Cc1ccc(F)cc1)c1cc2ccccc2s1.
What is the InChIKey of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is JADSURABKXWRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2S/c1-19(23,17-11-14-4-2-3-5-16(14)24-17)12-21-18(22)10-13-6-8-15(20)9-7-13/h2-9,11,23H,10,12H2,1H3,(H,21,22).
What are the key properties of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide?
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 343.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 86263945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).