4-bromo-2-ethyl-1-fluorobenzene;1-(5-fluoro-3-phenyl-1H-indol-2-yl)ethanone

C24H20BrF2NO — CID 143602127

IUPAC4-bromo-2-ethyl-1-fluorobenzene;1-(5-fluoro-3-phenyl-1H-indol-2-yl)ethanone
SMILESCC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1.CCc1cc(Br)ccc1F
InChIInChI=1S/C16H12FNO.C8H8BrF/c1-10(19)16-15(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)18-16;1-2-6-5-7(9)3-4-8(6)10/h2-9,18H,1H3;3-5H,2H2,1H3
InChIKeyVLIJHFQHOUFSLO-UHFFFAOYSA-N
MW456.33 g/mol
LogP7.33
Rot. Bonds3

About 4-bromo-2-ethyl-1-fluorobenzene;1-(5-fluoro-3-phenyl-1H-indol-2-yl)ethanone

4-bromo-2-ethyl-1-fluorobenzene;1-(5-fluoro-3-phenyl-1H-indol-2-yl)ethanone (PubChem CID 143602127) has the molecular formula C24H20BrF2NO and a molecular weight of 456.33 g/mol. Its IUPAC name is 4-bromo-2-ethyl-1-fluorobenzene;1-(5-fluoro-3-phenyl-1H-indol-2-yl)ethanone.

Molecular Properties

Compound Name4-bromo-2-ethyl-1-fluorobenzene;1-(5-fluoro-3-phenyl-1H-indol-2-yl)ethanone
PubChem CID143602127
Molecular FormulaC24H20BrF2NO
Molecular Weight456.33 g/mol
Exact Mass455.07
IUPAC Name4-bromo-2-ethyl-1-fluorobenzene;1-(5-fluoro-3-phenyl-1H-indol-2-yl)ethanone
SMILESCC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1.CCc1cc(Br)ccc1F
InChIInChI=1S/C16H12FNO.C8H8BrF/c1-10(19)16-15(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)18-16;1-2-6-5-7(9)3-4-8(6)10/h2-9,18H,1H3;3-5H,2H2,1H3
InChIKeyVLIJHFQHOUFSLO-UHFFFAOYSA-N
XLogP7.33
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.33
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-2-ethyl-1-fluorobenzene;1-(5-fluoro-3-phenyl-1H-indol-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 21014528
3-(2-fluorophenyl)-1-(5-fluoro-3-phenyl-1H-indol-2-yl)propan-1-one
CID 58125933
5-fluoro-N-[(2-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide
CID 21014382
N-[(4-chlorophenyl)methyl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 21014526
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
5-fluoro-N-[(3-fluorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide
CID 21014400
6-bromo-3-ethanehydrazonoyl-4-phenyl-1H-quinolin-2-one
CID 135954546
N-[(4-chlorophenyl)methylideneamino]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 70119737
[4-bromo-2-[[(5-fluoro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 126400185
2-[2-(4-fluorophenyl)ethyl-(5-methyl-3-phenyl-1H-indole-2-carbonyl)amino]acetic acid
CID 110165419
5-fluoro-N-[[3-(hydroxymethyl)-4,5-dimethoxyphenyl]methyl]-3-phenyl-1H-indole-2-carboxamide
CID 58125938
N-[(E)-benzylideneamino]-5-bromo-3-phenyl-1H-indole-2-carboxamide
CID 6878137

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-1-fluorobenzene;1-(5-fluoro-3-phenyl-1H-indol-2-yl)ethanone?
The IUPAC name of 4-bromo-2-ethyl-1-fluorobenzene;1-(5-fluoro-3-phenyl-1H-indol-2-yl)ethanone (CID 143602127) is 4-bromo-2-ethyl-1-fluorobenzene;1-(5-fluoro-3-phenyl-1H-indol-2-yl)ethanone.
What is the SMILES notation for 4-bromo-2-ethyl-1-fluorobenzene;1-(5-fluoro-3-phenyl-1H-indol-2-yl)ethanone?
The canonical SMILES for 4-bromo-2-ethyl-1-fluorobenzene;1-(5-fluoro-3-phenyl-1H-indol-2-yl)ethanone is CC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1.CCc1cc(Br)ccc1F.
What is the InChIKey of 4-bromo-2-ethyl-1-fluorobenzene;1-(5-fluoro-3-phenyl-1H-indol-2-yl)ethanone?
The InChIKey is VLIJHFQHOUFSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO.C8H8BrF/c1-10(19)16-15(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)18-16;1-2-6-5-7(9)3-4-8(6)10/h2-9,18H,1H3;3-5H,2H2,1H3.
What are the key properties of 4-bromo-2-ethyl-1-fluorobenzene;1-(5-fluoro-3-phenyl-1H-indol-2-yl)ethanone?
4-bromo-2-ethyl-1-fluorobenzene;1-(5-fluoro-3-phenyl-1H-indol-2-yl)ethanone has a molecular weight of 456.33 g/mol, XLogP of 7.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-1-fluorobenzene;1-(5-fluoro-3-phenyl-1H-indol-2-yl)ethanone is sourced from PubChem (CID 143602127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).