(2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone

C17H14FNO — CID 43163503

IUPAC(2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
SMILESCc1ccc(C(=O)c2c[nH]c3cc(F)ccc23)c(C)c1
InChIInChI=1S/C17H14FNO/c1-10-3-5-13(11(2)7-10)17(20)15-9-19-16-8-12(18)4-6-14(15)16/h3-9,19H,1-2H3
InChIKeyHZMGNUWHORLTDE-UHFFFAOYSA-N
MW267.30 g/mol
LogP4.15
Rot. Bonds2

About (2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone

(2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone (PubChem CID 43163503) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
PubChem CID43163503
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC Name(2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
SMILESCc1ccc(C(=O)c2c[nH]c3cc(F)ccc23)c(C)c1
InChIInChI=1S/C17H14FNO/c1-10-3-5-13(11(2)7-10)17(20)15-9-19-16-8-12(18)4-6-14(15)16/h3-9,19H,1-2H3
InChIKeyHZMGNUWHORLTDE-UHFFFAOYSA-N
XLogP4.15
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 106860788
3-(4-fluoro-2-methylbenzoyl)-1H-indole-6-carbonitrile
CID 107916673
(6-fluoro-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone
CID 63209854
(6-fluoro-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 43342087
(2,3-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43342049
N-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206239
(6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 63187418
(3-chloro-5-methylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 81323304
N-(2,5-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208638
4-(2,4-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-4-oxobutanoic acid
CID 147786619
(2-bromo-5-methylphenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 81109626
(5-chloro-2-methoxyphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43163494

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone?
The IUPAC name of (2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone (CID 43163503) is (2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone?
The canonical SMILES for (2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone is Cc1ccc(C(=O)c2c[nH]c3cc(F)ccc23)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone?
The InChIKey is HZMGNUWHORLTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO/c1-10-3-5-13(11(2)7-10)17(20)15-9-19-16-8-12(18)4-6-14(15)16/h3-9,19H,1-2H3.
What are the key properties of (2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone?
(2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone has a molecular weight of 267.30 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone is sourced from PubChem (CID 43163503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).