1-(5-chloro-2,3-dihydroindol-1-yl)-2-(3-fluorophenoxy)ethanone

C16H13ClFNO2 — CID 110714186

IUPAC1-(5-chloro-2,3-dihydroindol-1-yl)-2-(3-fluorophenoxy)ethanone
SMILESO=C(COc1cccc(F)c1)N1CCc2cc(Cl)ccc21
InChIInChI=1S/C16H13ClFNO2/c17-12-4-5-15-11(8-12)6-7-19(15)16(20)10-21-14-3-1-2-13(18)9-14/h1-5,8-9H,6-7,10H2
InChIKeyPXAPQQCZDFMKNH-UHFFFAOYSA-N
MW305.74 g/mol
LogP3.45
Rot. Bonds3

About 1-(5-chloro-2,3-dihydroindol-1-yl)-2-(3-fluorophenoxy)ethanone

1-(5-chloro-2,3-dihydroindol-1-yl)-2-(3-fluorophenoxy)ethanone (PubChem CID 110714186) has the molecular formula C16H13ClFNO2 and a molecular weight of 305.74 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydroindol-1-yl)-2-(3-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydroindol-1-yl)-2-(3-fluorophenoxy)ethanone
PubChem CID110714186
Molecular FormulaC16H13ClFNO2
Molecular Weight305.74 g/mol
Exact Mass305.06
IUPAC Name1-(5-chloro-2,3-dihydroindol-1-yl)-2-(3-fluorophenoxy)ethanone
SMILESO=C(COc1cccc(F)c1)N1CCc2cc(Cl)ccc21
InChIInChI=1S/C16H13ClFNO2/c17-12-4-5-15-11(8-12)6-7-19(15)16(20)10-21-14-3-1-2-13(18)9-14/h1-5,8-9H,6-7,10H2
InChIKeyPXAPQQCZDFMKNH-UHFFFAOYSA-N
XLogP3.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenoxy)-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 18097851
2-(3-fluorophenoxy)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 110715131
1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone
CID 828891
2-(3-aminophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
CID 61035060
1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(3-fluorophenoxy)ethanone
CID 110714309
2-(3-acetylphenoxy)-1-(5,7-difluoro-2,3-dihydroindol-1-yl)ethanone
CID 71846325
1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(2-fluorophenoxy)ethanone
CID 110714230
2-[4-(4-chlorobenzoyl)phenoxy]-1-(2,3-dihydroindol-1-yl)ethanone
CID 7919205
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619950
2-(3-fluorophenoxy)-1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110709524
5-chloro-2,3-dihydroindole-1-carboxylic acid
CID 68859490
N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenoxy]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 37349562

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydroindol-1-yl)-2-(3-fluorophenoxy)ethanone?
The IUPAC name of 1-(5-chloro-2,3-dihydroindol-1-yl)-2-(3-fluorophenoxy)ethanone (CID 110714186) is 1-(5-chloro-2,3-dihydroindol-1-yl)-2-(3-fluorophenoxy)ethanone.
What is the SMILES notation for 1-(5-chloro-2,3-dihydroindol-1-yl)-2-(3-fluorophenoxy)ethanone?
The canonical SMILES for 1-(5-chloro-2,3-dihydroindol-1-yl)-2-(3-fluorophenoxy)ethanone is O=C(COc1cccc(F)c1)N1CCc2cc(Cl)ccc21.
What is the InChIKey of 1-(5-chloro-2,3-dihydroindol-1-yl)-2-(3-fluorophenoxy)ethanone?
The InChIKey is PXAPQQCZDFMKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO2/c17-12-4-5-15-11(8-12)6-7-19(15)16(20)10-21-14-3-1-2-13(18)9-14/h1-5,8-9H,6-7,10H2.
What are the key properties of 1-(5-chloro-2,3-dihydroindol-1-yl)-2-(3-fluorophenoxy)ethanone?
1-(5-chloro-2,3-dihydroindol-1-yl)-2-(3-fluorophenoxy)ethanone has a molecular weight of 305.74 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydroindol-1-yl)-2-(3-fluorophenoxy)ethanone is sourced from PubChem (CID 110714186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).