4-bromo-N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]aniline;5-bromo-2-(2,6-difluorophenyl)-1H-indole;(4-bromophenyl)hydrazine;1-(2,6-difluorophenyl)ethanone;2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole

C61H44Br3F11N8O — CID 172954773

IUPAC4-bromo-N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]aniline;5-bromo-2-(2,6-difluorophenyl)-1H-indole;(4-bromophenyl)hydrazine;1-(2,6-difluorophenyl)ethanone;2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole
SMILESC/C(=N\Nc1ccc(Br)cc1)c1c(F)cccc1F.CC(=O)c1c(F)cccc1F.Cn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1.Fc1cccc(F)c1-c1cc2cc(Br)ccc2[nH]1.NNc1ccc(Br)cc1
InChIInChI=1S/C19H12F5N3.C14H11BrF2N2.C14H8BrF2N.C8H6F2O.C6H7BrN2/c1-27-16(9-17(26-27)19(22,23)24)10-5-6-14-11(7-10)8-15(25-14)18-12(20)3-2-4-13(18)21;1-9(14-12(16)3-2-4-13(14)17)18-19-11-7-5-10(15)6-8-11;15-9-4-5-12-8(6-9)7-13(18-12)14-10(16)2-1-3-11(14)17;1-5(11)8-6(9)3-2-4-7(8)10;7-5-1-3-6(9-8)4-2-5/h2-9,25H,1H3;2-8,19H,1H3;1-7,18H;2-4H,1H3;1-4,9H,8H2/b;18-9+;;;
InChIKeyNMHLWRFFBBAXBI-AQLOQRBNSA-N
MW1353.77 g/mol
LogP18.87
Rot. Bonds8

About 4-bromo-N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]aniline;5-bromo-2-(2,6-difluorophenyl)-1H-indole;(4-bromophenyl)hydrazine;1-(2,6-difluorophenyl)ethanone;2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole

4-bromo-N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]aniline;5-bromo-2-(2,6-difluorophenyl)-1H-indole;(4-bromophenyl)hydrazine;1-(2,6-difluorophenyl)ethanone;2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole (PubChem CID 172954773) has the molecular formula C61H44Br3F11N8O and a molecular weight of 1353.77 g/mol. Its IUPAC name is 4-bromo-N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]aniline;5-bromo-2-(2,6-difluorophenyl)-1H-indole;(4-bromophenyl)hydrazine;1-(2,6-difluorophenyl)ethanone;2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole.

Molecular Properties

Compound Name4-bromo-N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]aniline;5-bromo-2-(2,6-difluorophenyl)-1H-indole;(4-bromophenyl)hydrazine;1-(2,6-difluorophenyl)ethanone;2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole
PubChem CID172954773
Molecular FormulaC61H44Br3F11N8O
Molecular Weight1353.77 g/mol
Exact Mass1350.10
IUPAC Name4-bromo-N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]aniline;5-bromo-2-(2,6-difluorophenyl)-1H-indole;(4-bromophenyl)hydrazine;1-(2,6-difluorophenyl)ethanone;2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole
SMILESC/C(=N\Nc1ccc(Br)cc1)c1c(F)cccc1F.CC(=O)c1c(F)cccc1F.Cn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1.Fc1cccc(F)c1-c1cc2cc(Br)ccc2[nH]1.NNc1ccc(Br)cc1
InChIInChI=1S/C19H12F5N3.C14H11BrF2N2.C14H8BrF2N.C8H6F2O.C6H7BrN2/c1-27-16(9-17(26-27)19(22,23)24)10-5-6-14-11(7-10)8-15(25-14)18-12(20)3-2-4-13(18)21;1-9(14-12(16)3-2-4-13(14)17)18-19-11-7-5-10(15)6-8-11;15-9-4-5-12-8(6-9)7-13(18-12)14-10(16)2-1-3-11(14)17;1-5(11)8-6(9)3-2-4-7(8)10;7-5-1-3-6(9-8)4-2-5/h2-9,25H,1H3;2-8,19H,1H3;1-7,18H;2-4H,1H3;1-4,9H,8H2/b;18-9+;;;
InChIKeyNMHLWRFFBBAXBI-AQLOQRBNSA-N
XLogP18.87
TPSA128.91 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001353.77
LogP ≤ 518.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-bromo-N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]aniline;5-bromo-2-(2,6-difluorophenyl)-1H-indole;(4-bromophenyl)hydrazine;1-(2,6-difluorophenyl)ethanone;2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole 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

5-bromo-2-(2,6-difluorophenyl)-1H-indole;2-(2,6-difluorophenyl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole;2-(2,6-difluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
CID 158190243
5-bromo-2-(2,6-difluorophenyl)-3-methyl-1H-indole;(4-bromophenyl)hydrazine;2-(2,6-difluorophenyl)-3-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole;1-(2,6-difluorophenyl)propan-1-one;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid
CID 159883627
1-benzyl-5-bromoindazole;3-(1-benzylindazol-5-yl)butan-2-one;3-(1H-indazol-5-yl)butan-2-one
CID 123243885
1-bromo-2,4-difluorobenzene;1-(5-bromo-2,4-difluorophenyl)ethanone;5-bromo-6-fluoro-1,3-dimethylindazole;5-bromo-6-fluoro-3-methyl-2H-indazole;1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-fluorophenyl]piperazine;6-fluoro-1,3-dimethyl-5-piperazin-1-ylindazole
CID 159762799
5-bromo-2H-indazole-3-carbaldehyde;5-bromo-1H-indole;5-bromo-1-tritylindazole-3-carbaldehyde;methane
CID 161311319
4-bromo-N-[(E)-1-(2-chloro-6-fluorophenyl)ethylideneamino]aniline;5-bromo-2-(2-chloro-6-fluorophenyl)-1H-indole;1-(2-chloro-6-fluorophenyl)ethanone;2-(2-chloro-6-fluorophenyl)-5-(2-ethyl-5-methylpyrazol-3-yl)-1H-indole;2-(2-chloro-6-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
CID 172988242

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]aniline;5-bromo-2-(2,6-difluorophenyl)-1H-indole;(4-bromophenyl)hydrazine;1-(2,6-difluorophenyl)ethanone;2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole?
The IUPAC name of 4-bromo-N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]aniline;5-bromo-2-(2,6-difluorophenyl)-1H-indole;(4-bromophenyl)hydrazine;1-(2,6-difluorophenyl)ethanone;2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole (CID 172954773) is 4-bromo-N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]aniline;5-bromo-2-(2,6-difluorophenyl)-1H-indole;(4-bromophenyl)hydrazine;1-(2,6-difluorophenyl)ethanone;2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole.
What is the SMILES notation for 4-bromo-N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]aniline;5-bromo-2-(2,6-difluorophenyl)-1H-indole;(4-bromophenyl)hydrazine;1-(2,6-difluorophenyl)ethanone;2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole?
The canonical SMILES for 4-bromo-N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]aniline;5-bromo-2-(2,6-difluorophenyl)-1H-indole;(4-bromophenyl)hydrazine;1-(2,6-difluorophenyl)ethanone;2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole is C/C(=N\Nc1ccc(Br)cc1)c1c(F)cccc1F.CC(=O)c1c(F)cccc1F.Cn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1.Fc1cccc(F)c1-c1cc2cc(Br)ccc2[nH]1.NNc1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]aniline;5-bromo-2-(2,6-difluorophenyl)-1H-indole;(4-bromophenyl)hydrazine;1-(2,6-difluorophenyl)ethanone;2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole?
The InChIKey is NMHLWRFFBBAXBI-AQLOQRBNSA-N. The full InChI is InChI=1S/C19H12F5N3.C14H11BrF2N2.C14H8BrF2N.C8H6F2O.C6H7BrN2/c1-27-16(9-17(26-27)19(22,23)24)10-5-6-14-11(7-10)8-15(25-14)18-12(20)3-2-4-13(18)21;1-9(14-12(16)3-2-4-13(14)17)18-19-11-7-5-10(15)6-8-11;15-9-4-5-12-8(6-9)7-13(18-12)14-10(16)2-1-3-11(14)17;1-5(11)8-6(9)3-2-4-7(8)10;7-5-1-3-6(9-8)4-2-5/h2-9,25H,1H3;2-8,19H,1H3;1-7,18H;2-4H,1H3;1-4,9H,8H2/b;18-9+;;;.
What are the key properties of 4-bromo-N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]aniline;5-bromo-2-(2,6-difluorophenyl)-1H-indole;(4-bromophenyl)hydrazine;1-(2,6-difluorophenyl)ethanone;2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole?
4-bromo-N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]aniline;5-bromo-2-(2,6-difluorophenyl)-1H-indole;(4-bromophenyl)hydrazine;1-(2,6-difluorophenyl)ethanone;2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole has a molecular weight of 1353.77 g/mol, XLogP of 18.87, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(E)-1-(2,6-difluorophenyl)ethylideneamino]aniline;5-bromo-2-(2,6-difluorophenyl)-1H-indole;(4-bromophenyl)hydrazine;1-(2,6-difluorophenyl)ethanone;2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole is sourced from PubChem (CID 172954773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).