(7-ethyl-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone

C18H16FNO — CID 63491466

IUPAC(7-ethyl-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone
SMILESCCc1cccc2c(C(=O)c3ccc(F)c(C)c3)c[nH]c12
InChIInChI=1S/C18H16FNO/c1-3-12-5-4-6-14-15(10-20-17(12)14)18(21)13-7-8-16(19)11(2)9-13/h4-10,20H,3H2,1-2H3
InChIKeyUQOUGVREJCUOJS-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.41
Rot. Bonds3

About (7-ethyl-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone

(7-ethyl-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone (PubChem CID 63491466) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is (7-ethyl-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(7-ethyl-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone
PubChem CID63491466
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name(7-ethyl-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone
SMILESCCc1cccc2c(C(=O)c3ccc(F)c(C)c3)c[nH]c12
InChIInChI=1S/C18H16FNO/c1-3-12-5-4-6-14-15(10-20-17(12)14)18(21)13-7-8-16(19)11(2)9-13/h4-10,20H,3H2,1-2H3
InChIKeyUQOUGVREJCUOJS-UHFFFAOYSA-N
XLogP4.41
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(7-ethyl-1H-indol-3-yl)-(2-fluorophenyl)methanone
CID 43161290
(3,5-dibromophenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 107979602
(4-amino-3-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 82779402
(7-ethyl-1H-indol-3-yl)-(2-methylphenyl)methanone
CID 43339331
(2,3-dimethylphenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 43339292
(2-bromo-4-chlorophenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 107987127
(2-bromo-5-fluorophenyl)-(7-ethyl-1H-indol-3-yl)methanone
CID 43339323
(6-fluoro-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone
CID 63209854
1-(7-ethyl-1H-indol-3-yl)-2-(4-fluorophenyl)ethanone
CID 43339295
7-ethyl-3-methyl-1H-indole
CID 13271010
(4,5-dibromothiophen-2-yl)-(7-ethyl-1H-indol-3-yl)methanone
CID 80537318
(E)-3-(7-ethyl-1H-indol-3-yl)but-2-enoic acid
CID 76847737

Frequently Asked Questions

What is the IUPAC name of (7-ethyl-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone?
The IUPAC name of (7-ethyl-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone (CID 63491466) is (7-ethyl-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for (7-ethyl-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone?
The canonical SMILES for (7-ethyl-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone is CCc1cccc2c(C(=O)c3ccc(F)c(C)c3)c[nH]c12.
What is the InChIKey of (7-ethyl-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone?
The InChIKey is UQOUGVREJCUOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c1-3-12-5-4-6-14-15(10-20-17(12)14)18(21)13-7-8-16(19)11(2)9-13/h4-10,20H,3H2,1-2H3.
What are the key properties of (7-ethyl-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone?
(7-ethyl-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone has a molecular weight of 281.33 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethyl-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 63491466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).