2,3-dihydro-1H-indol-3-yl-(4-fluoro-2-methylphenyl)methanone

C16H14FNO — CID 116594740

IUPAC2,3-dihydro-1H-indol-3-yl-(4-fluoro-2-methylphenyl)methanone
SMILESCc1cc(F)ccc1C(=O)C1CNc2ccccc21
InChIInChI=1S/C16H14FNO/c1-10-8-11(17)6-7-12(10)16(19)14-9-18-15-5-3-2-4-13(14)15/h2-8,14,18H,9H2,1H3
InChIKeyDGXQRDBICYPDQC-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.53
Rot. Bonds2

About 2,3-dihydro-1H-indol-3-yl-(4-fluoro-2-methylphenyl)methanone

2,3-dihydro-1H-indol-3-yl-(4-fluoro-2-methylphenyl)methanone (PubChem CID 116594740) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-3-yl-(4-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-3-yl-(4-fluoro-2-methylphenyl)methanone
PubChem CID116594740
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name2,3-dihydro-1H-indol-3-yl-(4-fluoro-2-methylphenyl)methanone
SMILESCc1cc(F)ccc1C(=O)C1CNc2ccccc21
InChIInChI=1S/C16H14FNO/c1-10-8-11(17)6-7-12(10)16(19)14-9-18-15-5-3-2-4-13(14)15/h2-8,14,18H,9H2,1H3
InChIKeyDGXQRDBICYPDQC-UHFFFAOYSA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-indol-3-yl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 116594634
(2-chlorophenyl)-(2,3-dihydro-1H-indol-3-yl)methanone
CID 116594499
N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 107625638
N-(3-fluoro-5-methylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567216
2,3-dihydro-1H-inden-2-yl-(4-fluoro-2-methylphenyl)methanone
CID 65406838
(4-fluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598164
2,3-dihydro-1H-indol-3-yl-(3,5-dimethoxyphenyl)methanone
CID 116594626
1-(2,3-dihydro-1H-indol-3-yl)-2-(3-fluorophenyl)ethanone
CID 116594496
N-(4-fluoro-3-methylphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566409
N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80563608
methyl 2,3-dihydro-1H-indole-3-carboxylate
CID 45073772
ethyl (3S)-2,3-dihydro-1H-indole-3-carboxylate;hydrochloride
CID 172907953

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-3-yl-(4-fluoro-2-methylphenyl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-3-yl-(4-fluoro-2-methylphenyl)methanone (CID 116594740) is 2,3-dihydro-1H-indol-3-yl-(4-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-3-yl-(4-fluoro-2-methylphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-3-yl-(4-fluoro-2-methylphenyl)methanone is Cc1cc(F)ccc1C(=O)C1CNc2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-indol-3-yl-(4-fluoro-2-methylphenyl)methanone?
The InChIKey is DGXQRDBICYPDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c1-10-8-11(17)6-7-12(10)16(19)14-9-18-15-5-3-2-4-13(14)15/h2-8,14,18H,9H2,1H3.
What are the key properties of 2,3-dihydro-1H-indol-3-yl-(4-fluoro-2-methylphenyl)methanone?
2,3-dihydro-1H-indol-3-yl-(4-fluoro-2-methylphenyl)methanone has a molecular weight of 255.29 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-3-yl-(4-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 116594740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).