(4-fluoro-1-benzothiophen-2-yl)-(2-phenylmorpholin-4-yl)methanone

C19H16FNO2S — CID 43057357

IUPAC(4-fluoro-1-benzothiophen-2-yl)-(2-phenylmorpholin-4-yl)methanone
SMILESO=C(c1cc2c(F)cccc2s1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C19H16FNO2S/c20-15-7-4-8-17-14(15)11-18(24-17)19(22)21-9-10-23-16(12-21)13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2
InChIKeyRWMCDWSWBKKUMS-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.25
Rot. Bonds2

About (4-fluoro-1-benzothiophen-2-yl)-(2-phenylmorpholin-4-yl)methanone

(4-fluoro-1-benzothiophen-2-yl)-(2-phenylmorpholin-4-yl)methanone (PubChem CID 43057357) has the molecular formula C19H16FNO2S and a molecular weight of 341.41 g/mol. Its IUPAC name is (4-fluoro-1-benzothiophen-2-yl)-(2-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-1-benzothiophen-2-yl)-(2-phenylmorpholin-4-yl)methanone
PubChem CID43057357
Molecular FormulaC19H16FNO2S
Molecular Weight341.41 g/mol
Exact Mass341.09
IUPAC Name(4-fluoro-1-benzothiophen-2-yl)-(2-phenylmorpholin-4-yl)methanone
SMILESO=C(c1cc2c(F)cccc2s1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C19H16FNO2S/c20-15-7-4-8-17-14(15)11-18(24-17)19(22)21-9-10-23-16(12-21)13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2
InChIKeyRWMCDWSWBKKUMS-UHFFFAOYSA-N
XLogP4.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluoro-1-benzothiophen-2-yl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51456697
(3R)-1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 51888649
5-[2-(2-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
CID 119183971
(1,1-dioxo-1,4-thiazinan-4-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone
CID 84583540
2-[1-(4-fluoro-1-benzothiophene-2-carbonyl)azetidin-3-yl]acetic acid
CID 64604582
[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51144873
(3-bromo-5-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone
CID 110629876
5-[2-(3-chloro-4-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
CID 119183890
1-adamantyl-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 25281285
(5-bromothiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 42949375
(2,4-dichlorophenyl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 25281298
4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid
CID 119183981

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1-benzothiophen-2-yl)-(2-phenylmorpholin-4-yl)methanone?
The IUPAC name of (4-fluoro-1-benzothiophen-2-yl)-(2-phenylmorpholin-4-yl)methanone (CID 43057357) is (4-fluoro-1-benzothiophen-2-yl)-(2-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-fluoro-1-benzothiophen-2-yl)-(2-phenylmorpholin-4-yl)methanone?
The canonical SMILES for (4-fluoro-1-benzothiophen-2-yl)-(2-phenylmorpholin-4-yl)methanone is O=C(c1cc2c(F)cccc2s1)N1CCOC(c2ccccc2)C1.
What is the InChIKey of (4-fluoro-1-benzothiophen-2-yl)-(2-phenylmorpholin-4-yl)methanone?
The InChIKey is RWMCDWSWBKKUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2S/c20-15-7-4-8-17-14(15)11-18(24-17)19(22)21-9-10-23-16(12-21)13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2.
What are the key properties of (4-fluoro-1-benzothiophen-2-yl)-(2-phenylmorpholin-4-yl)methanone?
(4-fluoro-1-benzothiophen-2-yl)-(2-phenylmorpholin-4-yl)methanone has a molecular weight of 341.41 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1-benzothiophen-2-yl)-(2-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 43057357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).