1-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-[2-methoxy-5-(5-methyl-2-pyridinyl)anilino]ethanone

C23H21F2N3O2 — CID 171813756

IUPAC1-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-[2-methoxy-5-(5-methyl-2-pyridinyl)anilino]ethanone
SMILESCOc1ccc(-c2ccc(C)cn2)cc1NCC(=O)N1CCc2cc(F)c(F)cc21
InChIInChI=1S/C23H21F2N3O2/c1-14-3-5-19(26-12-14)15-4-6-22(30-2)20(10-15)27-13-23(29)28-8-7-16-9-17(24)18(25)11-21(16)28/h3-6,9-12,27H,7-8,13H2,1-2H3
InChIKeyRFNBGRXBKIITKK-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.35
Rot. Bonds5

About 1-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-[2-methoxy-5-(5-methyl-2-pyridinyl)anilino]ethanone

1-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-[2-methoxy-5-(5-methyl-2-pyridinyl)anilino]ethanone (PubChem CID 171813756) has the molecular formula C23H21F2N3O2 and a molecular weight of 409.44 g/mol. Its IUPAC name is 1-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-[2-methoxy-5-(5-methyl-2-pyridinyl)anilino]ethanone.

Molecular Properties

Compound Name1-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-[2-methoxy-5-(5-methyl-2-pyridinyl)anilino]ethanone
PubChem CID171813756
Molecular FormulaC23H21F2N3O2
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name1-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-[2-methoxy-5-(5-methyl-2-pyridinyl)anilino]ethanone
SMILESCOc1ccc(-c2ccc(C)cn2)cc1NCC(=O)N1CCc2cc(F)c(F)cc21
InChIInChI=1S/C23H21F2N3O2/c1-14-3-5-19(26-12-14)15-4-6-22(30-2)20(10-15)27-13-23(29)28-8-7-16-9-17(24)18(25)11-21(16)28/h3-6,9-12,27H,7-8,13H2,1-2H3
InChIKeyRFNBGRXBKIITKK-UHFFFAOYSA-N
XLogP4.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-[2-methoxy-5-(5-methyl-2-pyridinyl)anilino]ethanone with MolForge

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
CID 9080490
2-[2-methyl-5-(5-methyl-2-pyridinyl)anilino]acetic acid
CID 171813529
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,5-dimethoxyanilino)ethanone
CID 54813893
2-(2,5-dimethoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28575998
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-methoxy-5-methylanilino)propan-1-one
CID 47877423
2-(2-chloro-4-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 9099376
1-[2-(3-fluoro-4-methoxyanilino)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide;molecular hydrogen
CID 159785532
4-amino-1-(7-fluoro-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 167922199
4-[2-(5-chloro-2-methoxyanilino)acetyl]piperazin-2-one
CID 32895414
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
CID 110714096
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 47047894
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-methoxyphenyl)urea
CID 46383478

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-[2-methoxy-5-(5-methyl-2-pyridinyl)anilino]ethanone?
The IUPAC name of 1-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-[2-methoxy-5-(5-methyl-2-pyridinyl)anilino]ethanone (CID 171813756) is 1-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-[2-methoxy-5-(5-methyl-2-pyridinyl)anilino]ethanone.
What is the SMILES notation for 1-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-[2-methoxy-5-(5-methyl-2-pyridinyl)anilino]ethanone?
The canonical SMILES for 1-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-[2-methoxy-5-(5-methyl-2-pyridinyl)anilino]ethanone is COc1ccc(-c2ccc(C)cn2)cc1NCC(=O)N1CCc2cc(F)c(F)cc21.
What is the InChIKey of 1-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-[2-methoxy-5-(5-methyl-2-pyridinyl)anilino]ethanone?
The InChIKey is RFNBGRXBKIITKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O2/c1-14-3-5-19(26-12-14)15-4-6-22(30-2)20(10-15)27-13-23(29)28-8-7-16-9-17(24)18(25)11-21(16)28/h3-6,9-12,27H,7-8,13H2,1-2H3.
What are the key properties of 1-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-[2-methoxy-5-(5-methyl-2-pyridinyl)anilino]ethanone?
1-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-[2-methoxy-5-(5-methyl-2-pyridinyl)anilino]ethanone has a molecular weight of 409.44 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-difluoro-2,3-dihydroindol-1-yl)-2-[2-methoxy-5-(5-methyl-2-pyridinyl)anilino]ethanone is sourced from PubChem (CID 171813756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).