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

C18H15ClFNO2S — CID 86263956

IUPACN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-chloro-6-fluorobenzamide
SMILESCC(O)(CNC(=O)c1c(F)cccc1Cl)c1cc2ccccc2s1
InChIInChI=1S/C18H15ClFNO2S/c1-18(23,15-9-11-5-2-3-8-14(11)24-15)10-21-17(22)16-12(19)6-4-7-13(16)20/h2-9,23H,10H2,1H3,(H,21,22)
InChIKeyCNMAVNUXLKOQJL-UHFFFAOYSA-N
MW363.84 g/mol
LogP4.33
Rot. Bonds4

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

N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-chloro-6-fluorobenzamide (PubChem CID 86263956) has the molecular formula C18H15ClFNO2S and a molecular weight of 363.84 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-chloro-6-fluorobenzamide
PubChem CID86263956
Molecular FormulaC18H15ClFNO2S
Molecular Weight363.84 g/mol
Exact Mass363.05
IUPAC NameN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-chloro-6-fluorobenzamide
SMILESCC(O)(CNC(=O)c1c(F)cccc1Cl)c1cc2ccccc2s1
InChIInChI=1S/C18H15ClFNO2S/c1-18(23,15-9-11-5-2-3-8-14(11)24-15)10-21-17(22)16-12(19)6-4-7-13(16)20/h2-9,23H,10H2,1H3,(H,21,22)
InChIKeyCNMAVNUXLKOQJL-UHFFFAOYSA-N
XLogP4.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 54.33
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-chloro-6-fluorobenzamide?
The IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-chloro-6-fluorobenzamide (CID 86263956) is N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-chloro-6-fluorobenzamide is CC(O)(CNC(=O)c1c(F)cccc1Cl)c1cc2ccccc2s1.
What is the InChIKey of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-chloro-6-fluorobenzamide?
The InChIKey is CNMAVNUXLKOQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO2S/c1-18(23,15-9-11-5-2-3-8-14(11)24-15)10-21-17(22)16-12(19)6-4-7-13(16)20/h2-9,23H,10H2,1H3,(H,21,22).
What are the key properties of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-chloro-6-fluorobenzamide?
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-2-chloro-6-fluorobenzamide has a molecular weight of 363.84 g/mol, XLogP of 4.33, 4 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-chloro-6-fluorobenzamide is sourced from PubChem (CID 86263956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).