(3-fluoro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

C17H16FNO2 — CID 46819959

IUPAC(3-fluoro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccc(C(=O)N2c3ccccc3CC2C)cc1F
InChIInChI=1S/C17H16FNO2/c1-11-9-12-5-3-4-6-15(12)19(11)17(20)13-7-8-16(21-2)14(18)10-13/h3-8,10-11H,9H2,1-2H3
InChIKeyIXYHZQMDFSINBD-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.43
Rot. Bonds2

About (3-fluoro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

(3-fluoro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 46819959) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID46819959
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name(3-fluoro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccc(C(=O)N2c3ccccc3CC2C)cc1F
InChIInChI=1S/C17H16FNO2/c1-11-9-12-5-3-4-6-15(12)19(11)17(20)13-7-8-16(21-2)14(18)10-13/h3-8,10-11H,9H2,1-2H3
InChIKeyIXYHZQMDFSINBD-UHFFFAOYSA-N
XLogP3.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 133184168
(4-amino-3-fluorophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62678879
(2,6-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 17319734
(3-methoxynaphthalen-2-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 26910968
(2-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 19061805
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 92533173
3-fluoro-4-methoxy-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
CID 100614763
1-(3,4-dimethoxybenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 118856568
2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 93238246
(3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 2943863
3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide
CID 51729442

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 46819959) is (3-fluoro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is COc1ccc(C(=O)N2c3ccccc3CC2C)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is IXYHZQMDFSINBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-11-9-12-5-3-4-6-15(12)19(11)17(20)13-7-8-16(21-2)14(18)10-13/h3-8,10-11H,9H2,1-2H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
(3-fluoro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 285.32 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 46819959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).