(3-chloro-4-fluoro-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone

C15H15ClFNO2S — CID 2971473

IUPAC(3-chloro-4-fluoro-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2sc3cccc(F)c3c2Cl)CC(C)O1
InChIInChI=1S/C15H15ClFNO2S/c1-8-6-18(7-9(2)20-8)15(19)14-13(16)12-10(17)4-3-5-11(12)21-14/h3-5,8-9H,6-7H2,1-2H3
InChIKeyCWMGSZKLMJPWMC-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.94
Rot. Bonds1

About (3-chloro-4-fluoro-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone

(3-chloro-4-fluoro-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 2971473) has the molecular formula C15H15ClFNO2S and a molecular weight of 327.81 g/mol. Its IUPAC name is (3-chloro-4-fluoro-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-fluoro-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID2971473
Molecular FormulaC15H15ClFNO2S
Molecular Weight327.81 g/mol
Exact Mass327.05
IUPAC Name(3-chloro-4-fluoro-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2sc3cccc(F)c3c2Cl)CC(C)O1
InChIInChI=1S/C15H15ClFNO2S/c1-8-6-18(7-9(2)20-8)15(19)14-13(16)12-10(17)4-3-5-11(12)21-14/h3-5,8-9H,6-7H2,1-2H3
InChIKeyCWMGSZKLMJPWMC-UHFFFAOYSA-N
XLogP3.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluoro-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (3-chloro-4-fluoro-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone (CID 2971473) is (3-chloro-4-fluoro-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (3-chloro-4-fluoro-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (3-chloro-4-fluoro-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2sc3cccc(F)c3c2Cl)CC(C)O1.
What is the InChIKey of (3-chloro-4-fluoro-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is CWMGSZKLMJPWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2S/c1-8-6-18(7-9(2)20-8)15(19)14-13(16)12-10(17)4-3-5-11(12)21-14/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of (3-chloro-4-fluoro-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
(3-chloro-4-fluoro-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 327.81 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluoro-1-benzothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 2971473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).