N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide

C19H17ClFNO2S — CID 86263983

IUPACN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide
SMILESCC(O)(CNC(=O)Cc1c(F)cccc1Cl)c1cc2ccccc2s1
InChIInChI=1S/C19H17ClFNO2S/c1-19(24,17-9-12-5-2-3-8-16(12)25-17)11-22-18(23)10-13-14(20)6-4-7-15(13)21/h2-9,24H,10-11H2,1H3,(H,22,23)
InChIKeyUVXUQWGYLOTIRX-UHFFFAOYSA-N
MW377.87 g/mol
LogP4.26
Rot. Bonds5

About N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide

N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide (PubChem CID 86263983) has the molecular formula C19H17ClFNO2S and a molecular weight of 377.87 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide
PubChem CID86263983
Molecular FormulaC19H17ClFNO2S
Molecular Weight377.87 g/mol
Exact Mass377.07
IUPAC NameN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide
SMILESCC(O)(CNC(=O)Cc1c(F)cccc1Cl)c1cc2ccccc2s1
InChIInChI=1S/C19H17ClFNO2S/c1-19(24,17-9-12-5-2-3-8-16(12)25-17)11-22-18(23)10-13-14(20)6-4-7-15(13)21/h2-9,24H,10-11H2,1H3,(H,22,23)
InChIKeyUVXUQWGYLOTIRX-UHFFFAOYSA-N
XLogP4.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.26
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-(2-chloro-6-fluorophenyl)acetamide?
The IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide (CID 86263983) is N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide is CC(O)(CNC(=O)Cc1c(F)cccc1Cl)c1cc2ccccc2s1.
What is the InChIKey of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide?
The InChIKey is UVXUQWGYLOTIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFNO2S/c1-19(24,17-9-12-5-2-3-8-16(12)25-17)11-22-18(23)10-13-14(20)6-4-7-15(13)21/h2-9,24H,10-11H2,1H3,(H,22,23).
What are the key properties of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide?
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide has a molecular weight of 377.87 g/mol, XLogP of 4.26, 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-(2-chloro-6-fluorophenyl)acetamide is sourced from PubChem (CID 86263983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).