[4-(ethylamino)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone

C17H17FN2O — CID 103502194

IUPAC[4-(ethylamino)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESCCNc1ccc(C(=O)N2CCc3ccc(F)cc32)cc1
InChIInChI=1S/C17H17FN2O/c1-2-19-15-7-4-13(5-8-15)17(21)20-10-9-12-3-6-14(18)11-16(12)20/h3-8,11,19H,2,9-10H2,1H3
InChIKeyGMLHDVPOTNXUSK-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.46
Rot. Bonds3

About [4-(ethylamino)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone

[4-(ethylamino)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone (PubChem CID 103502194) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is [4-(ethylamino)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[4-(ethylamino)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
PubChem CID103502194
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name[4-(ethylamino)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESCCNc1ccc(C(=O)N2CCc3ccc(F)cc32)cc1
InChIInChI=1S/C17H17FN2O/c1-2-19-15-7-4-13(5-8-15)17(21)20-10-9-12-3-6-14(18)11-16(12)20/h3-8,11,19H,2,9-10H2,1H3
InChIKeyGMLHDVPOTNXUSK-UHFFFAOYSA-N
XLogP3.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-aminoethyl)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103495293
1-(4-fluorobenzoyl)-N-propyl-2,3-dihydroindole-6-carboxamide
CID 53160350
(4-amino-3-fluorophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493821
(6-bromo-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103718991
(6-fluoro-2,3-dihydroindol-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
CID 111520398
1-(2,5-difluorophenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
CID 46384382
2,3-dihydro-1H-indol-6-yl-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103495318
5-(6-fluoro-2,3-dihydroindol-1-yl)-3,3-dimethyl-5-oxopentanoic acid
CID 103494270
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid
CID 103502359
(3-amino-5-fluoro-4-methylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493768
1-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119760474
5-fluoro-2-methyl-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]benzenesulfonamide
CID 53102645

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [4-(ethylamino)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone (CID 103502194) is [4-(ethylamino)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [4-(ethylamino)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [4-(ethylamino)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone is CCNc1ccc(C(=O)N2CCc3ccc(F)cc32)cc1.
What is the InChIKey of [4-(ethylamino)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is GMLHDVPOTNXUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-2-19-15-7-4-13(5-8-15)17(21)20-10-9-12-3-6-14(18)11-16(12)20/h3-8,11,19H,2,9-10H2,1H3.
What are the key properties of [4-(ethylamino)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
[4-(ethylamino)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 284.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 103502194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).