[3-chloro-4-(difluoromethoxy)-1-benzothiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone

C18H12ClF2NO2S — CID 4775286

IUPAC[3-chloro-4-(difluoromethoxy)-1-benzothiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1sc2cccc(OC(F)F)c2c1Cl)N1CCc2ccccc21
InChIInChI=1S/C18H12ClF2NO2S/c19-15-14-12(24-18(20)21)6-3-7-13(14)25-16(15)17(23)22-9-8-10-4-1-2-5-11(10)22/h1-7,18H,8-9H2
InChIKeyDZYLFOCVOJBHBO-UHFFFAOYSA-N
MW379.82 g/mol
LogP5.36
Rot. Bonds3

About [3-chloro-4-(difluoromethoxy)-1-benzothiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone

[3-chloro-4-(difluoromethoxy)-1-benzothiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 4775286) has the molecular formula C18H12ClF2NO2S and a molecular weight of 379.82 g/mol. Its IUPAC name is [3-chloro-4-(difluoromethoxy)-1-benzothiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[3-chloro-4-(difluoromethoxy)-1-benzothiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID4775286
Molecular FormulaC18H12ClF2NO2S
Molecular Weight379.82 g/mol
Exact Mass379.02
IUPAC Name[3-chloro-4-(difluoromethoxy)-1-benzothiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1sc2cccc(OC(F)F)c2c1Cl)N1CCc2ccccc21
InChIInChI=1S/C18H12ClF2NO2S/c19-15-14-12(24-18(20)21)6-3-7-13(14)25-16(15)17(23)22-9-8-10-4-1-2-5-11(10)22/h1-7,18H,8-9H2
InChIKeyDZYLFOCVOJBHBO-UHFFFAOYSA-N
XLogP5.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.82
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,3-dichlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 2708811
(2R)-2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7425461
(3,6-dichloro-1-benzothiophen-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 1117370
1-(2,3-dihydroindol-1-yl)-2-[4-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 55868118
(3,5-difluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4815727
(3-aminothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone
CID 61090033
methyl 1-[2-(difluoromethoxy)benzoyl]-2,3-dihydroindole-5-carboxylate
CID 51338171
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 4943179
3-chloro-N-[4-(diethylamino)butyl]-4-(difluoromethoxy)-N-(naphthalen-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 59780742
3-[4-(difluoromethoxy)-3-methoxyphenyl]-1-(2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 3334168
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 41308917
[2-[(4-chlorophenyl)methoxy]phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 18205239

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(difluoromethoxy)-1-benzothiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [3-chloro-4-(difluoromethoxy)-1-benzothiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone (CID 4775286) is [3-chloro-4-(difluoromethoxy)-1-benzothiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [3-chloro-4-(difluoromethoxy)-1-benzothiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [3-chloro-4-(difluoromethoxy)-1-benzothiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone is O=C(c1sc2cccc(OC(F)F)c2c1Cl)N1CCc2ccccc21.
What is the InChIKey of [3-chloro-4-(difluoromethoxy)-1-benzothiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is DZYLFOCVOJBHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2NO2S/c19-15-14-12(24-18(20)21)6-3-7-13(14)25-16(15)17(23)22-9-8-10-4-1-2-5-11(10)22/h1-7,18H,8-9H2.
What are the key properties of [3-chloro-4-(difluoromethoxy)-1-benzothiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone?
[3-chloro-4-(difluoromethoxy)-1-benzothiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 379.82 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(difluoromethoxy)-1-benzothiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 4775286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).