[3-(dimethylamino)phenyl]-(7-fluoro-2,3-dihydroindol-1-yl)methanone

C17H17FN2O — CID 110743992

IUPAC[3-(dimethylamino)phenyl]-(7-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESCN(C)c1cccc(C(=O)N2CCc3cccc(F)c32)c1
InChIInChI=1S/C17H17FN2O/c1-19(2)14-7-3-6-13(11-14)17(21)20-10-9-12-5-4-8-15(18)16(12)20/h3-8,11H,9-10H2,1-2H3
InChIKeyOIRUHTMRJJBVDZ-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.09
Rot. Bonds2

About [3-(dimethylamino)phenyl]-(7-fluoro-2,3-dihydroindol-1-yl)methanone

[3-(dimethylamino)phenyl]-(7-fluoro-2,3-dihydroindol-1-yl)methanone (PubChem CID 110743992) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-(7-fluoro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-(7-fluoro-2,3-dihydroindol-1-yl)methanone
PubChem CID110743992
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name[3-(dimethylamino)phenyl]-(7-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESCN(C)c1cccc(C(=O)N2CCc3cccc(F)c32)c1
InChIInChI=1S/C17H17FN2O/c1-19(2)14-7-3-6-13(11-14)17(21)20-10-9-12-5-4-8-15(18)16(12)20/h3-8,11H,9-10H2,1-2H3
InChIKeyOIRUHTMRJJBVDZ-UHFFFAOYSA-N
XLogP3.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 7-fluoro-2,3-dihydroindole-1-carboxylate
CID 110725158
(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 78843598
N-[1-[4-(dimethylamino)benzoyl]-2,3-dihydroindol-7-yl]acetamide
CID 112537299
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
3-(8-fluoro-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzamide
CID 138030894
[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 121153337
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 26204325
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(dimethylamino)benzamide
CID 110673376
(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone
CID 114455702
[3-(dimethylamino)phenyl]-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]methanone
CID 46100791
(7-methyl-2,3-dihydroindol-1-yl)-naphthalen-2-ylmethanone
CID 112835715
N-[1-(3-methylbenzoyl)-2,3-dihydroindol-7-yl]acetamide
CID 112537232

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-(7-fluoro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-(7-fluoro-2,3-dihydroindol-1-yl)methanone (CID 110743992) is [3-(dimethylamino)phenyl]-(7-fluoro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-(7-fluoro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-(7-fluoro-2,3-dihydroindol-1-yl)methanone is CN(C)c1cccc(C(=O)N2CCc3cccc(F)c32)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-(7-fluoro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is OIRUHTMRJJBVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-19(2)14-7-3-6-13(11-14)17(21)20-10-9-12-5-4-8-15(18)16(12)20/h3-8,11H,9-10H2,1-2H3.
What are the key properties of [3-(dimethylamino)phenyl]-(7-fluoro-2,3-dihydroindol-1-yl)methanone?
[3-(dimethylamino)phenyl]-(7-fluoro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 284.33 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-(7-fluoro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 110743992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).