(7-methyl-2,3-dihydroindol-1-yl)-[4-(trifluoromethyl)phenyl]methanone

C17H14F3NO — CID 112835706

IUPAC(7-methyl-2,3-dihydroindol-1-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1cccc2c1N(C(=O)c1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C17H14F3NO/c1-11-3-2-4-12-9-10-21(15(11)12)16(22)13-5-7-14(8-6-13)17(18,19)20/h2-8H,9-10H2,1H3
InChIKeyYFSPDOMNJGNUNJ-UHFFFAOYSA-N
MW305.30 g/mol
LogP4.22
Rot. Bonds1

About (7-methyl-2,3-dihydroindol-1-yl)-[4-(trifluoromethyl)phenyl]methanone

(7-methyl-2,3-dihydroindol-1-yl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 112835706) has the molecular formula C17H14F3NO and a molecular weight of 305.30 g/mol. Its IUPAC name is (7-methyl-2,3-dihydroindol-1-yl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(7-methyl-2,3-dihydroindol-1-yl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID112835706
Molecular FormulaC17H14F3NO
Molecular Weight305.30 g/mol
Exact Mass305.10
IUPAC Name(7-methyl-2,3-dihydroindol-1-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1cccc2c1N(C(=O)c1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C17H14F3NO/c1-11-3-2-4-12-9-10-21(15(11)12)16(22)13-5-7-14(8-6-13)17(18,19)20/h2-8H,9-10H2,1H3
InChIKeyYFSPDOMNJGNUNJ-UHFFFAOYSA-N
XLogP4.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(7-methyl-2,3-dihydroindol-1-yl)-naphthalen-2-ylmethanone
CID 112835715
5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridin-2-one
CID 60704811
1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 23566601
N,N,7-trimethyl-2,3-dihydroindole-1-carboxamide
CID 167015485
(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 55481052
(3-hydroxynaphthalen-2-yl)-(7-methyl-2,3-dihydroindol-1-yl)methanone
CID 112835830
(3-chloro-4-ethoxy-5-methoxyphenyl)-(7-methyl-2,3-dihydroindol-1-yl)methanone
CID 112835683
[1-(4-chlorophenyl)pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone
CID 112835848
[4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 589575
(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 52909095
2-ethyl-5-(7-methyl-2,3-dihydroindole-1-carbonyl)furan-3-carboxylic acid
CID 120822430
6-methyl-1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroquinolin-4-one
CID 110634868

Frequently Asked Questions

What is the IUPAC name of (7-methyl-2,3-dihydroindol-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (7-methyl-2,3-dihydroindol-1-yl)-[4-(trifluoromethyl)phenyl]methanone (CID 112835706) is (7-methyl-2,3-dihydroindol-1-yl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (7-methyl-2,3-dihydroindol-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (7-methyl-2,3-dihydroindol-1-yl)-[4-(trifluoromethyl)phenyl]methanone is Cc1cccc2c1N(C(=O)c1ccc(C(F)(F)F)cc1)CC2.
What is the InChIKey of (7-methyl-2,3-dihydroindol-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is YFSPDOMNJGNUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO/c1-11-3-2-4-12-9-10-21(15(11)12)16(22)13-5-7-14(8-6-13)17(18,19)20/h2-8H,9-10H2,1H3.
What are the key properties of (7-methyl-2,3-dihydroindol-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
(7-methyl-2,3-dihydroindol-1-yl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 305.30 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2,3-dihydroindol-1-yl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 112835706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).