(2-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone

C16H12FNO — CID 63555321

IUPAC(2-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
SMILESCc1ccc2[nH]cc(C(=O)c3ccccc3F)c2c1
InChIInChI=1S/C16H12FNO/c1-10-6-7-15-12(8-10)13(9-18-15)16(19)11-4-2-3-5-14(11)17/h2-9,18H,1H3
InChIKeyBNEUFDWODLXYJL-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.85
Rot. Bonds2

About (2-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone

(2-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone (PubChem CID 63555321) has the molecular formula C16H12FNO and a molecular weight of 253.28 g/mol. Its IUPAC name is (2-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
PubChem CID63555321
Molecular FormulaC16H12FNO
Molecular Weight253.28 g/mol
Exact Mass253.09
IUPAC Name(2-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
SMILESCc1ccc2[nH]cc(C(=O)c3ccccc3F)c2c1
InChIInChI=1S/C16H12FNO/c1-10-6-7-15-12(8-10)13(9-18-15)16(19)11-4-2-3-5-14(11)17/h2-9,18H,1H3
InChIKeyBNEUFDWODLXYJL-UHFFFAOYSA-N
XLogP3.85
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-3-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 81454697
(5-methyl-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 63555314
(2-bromo-6-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 114558734
(5-methyl-1H-indol-3-yl)-(2,4,6-trifluorophenyl)methanone
CID 65101248
(5-bromo-1H-indol-3-yl)-(2-fluoro-5-methylphenyl)methanone
CID 62514797
(2,5-dichlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555332
(3-amino-2,5-difluorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 107123712
(4-chlorophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555318
(2-bromo-5-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 81109626
(5-amino-2,4-dimethylphenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 102707031
(4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555156
3-(2,3-difluorobenzoyl)-1H-indole-5-carbonitrile
CID 107919907

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone (CID 63555321) is (2-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone is Cc1ccc2[nH]cc(C(=O)c3ccccc3F)c2c1.
What is the InChIKey of (2-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone?
The InChIKey is BNEUFDWODLXYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO/c1-10-6-7-15-12(8-10)13(9-18-15)16(19)11-4-2-3-5-14(11)17/h2-9,18H,1H3.
What are the key properties of (2-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone?
(2-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone has a molecular weight of 253.28 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(5-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 63555321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).