5-(4-bromophenoxy)-2-(trifluoromethyl)benzonitrile;1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxamide;ethyl 1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxylate;ethyl 1H-indazole-3-carboxylate

C70H46BrF9N10O8 — CID 158457065

IUPAC5-(4-bromophenoxy)-2-(trifluoromethyl)benzonitrile;1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxamide;ethyl 1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxylate;ethyl 1H-indazole-3-carboxylate
SMILESCCOC(=O)c1n[nH]c2ccccc12.CCOC(=O)c1nn(-c2ccc(Oc3ccc(C(F)(F)F)c(C#N)c3)cc2)c2ccccc12.N#Cc1cc(Oc2ccc(-n3nc(C(N)=O)c4ccccc43)cc2)ccc1C(F)(F)F.N#Cc1cc(Oc2ccc(Br)cc2)ccc1C(F)(F)F
InChIInChI=1S/C24H16F3N3O3.C22H13F3N4O2.C14H7BrF3NO.C10H10N2O2/c1-2-32-23(31)22-19-5-3-4-6-21(19)30(29-22)16-7-9-17(10-8-16)33-18-11-12-20(24(25,26)27)15(13-18)14-28;23-22(24,25)18-10-9-16(11-13(18)12-26)31-15-7-5-14(6-8-15)29-19-4-2-1-3-17(19)20(28-29)21(27)30;15-10-1-3-11(4-2-10)20-12-5-6-13(14(16,17)18)9(7-12)8-19;1-2-14-10(13)9-7-5-3-4-6-8(7)11-12-9/h3-13H,2H2,1H3;1-11H,(H2,27,30);1-7H;3-6H,2H2,1H3,(H,11,12)
InChIKeyHERXUOMFRFGCQF-UHFFFAOYSA-N
MW1406.09 g/mol
LogP17.56
Rot. Bonds13

About 5-(4-bromophenoxy)-2-(trifluoromethyl)benzonitrile;1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxamide;ethyl 1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxylate;ethyl 1H-indazole-3-carboxylate

5-(4-bromophenoxy)-2-(trifluoromethyl)benzonitrile;1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxamide;ethyl 1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxylate;ethyl 1H-indazole-3-carboxylate (PubChem CID 158457065) has the molecular formula C70H46BrF9N10O8 and a molecular weight of 1406.09 g/mol. Its IUPAC name is 5-(4-bromophenoxy)-2-(trifluoromethyl)benzonitrile;1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxamide;ethyl 1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxylate;ethyl 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name5-(4-bromophenoxy)-2-(trifluoromethyl)benzonitrile;1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxamide;ethyl 1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxylate;ethyl 1H-indazole-3-carboxylate
PubChem CID158457065
Molecular FormulaC70H46BrF9N10O8
Molecular Weight1406.09 g/mol
Exact Mass1404.25
IUPAC Name5-(4-bromophenoxy)-2-(trifluoromethyl)benzonitrile;1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxamide;ethyl 1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxylate;ethyl 1H-indazole-3-carboxylate
SMILESCCOC(=O)c1n[nH]c2ccccc12.CCOC(=O)c1nn(-c2ccc(Oc3ccc(C(F)(F)F)c(C#N)c3)cc2)c2ccccc12.N#Cc1cc(Oc2ccc(-n3nc(C(N)=O)c4ccccc43)cc2)ccc1C(F)(F)F.N#Cc1cc(Oc2ccc(Br)cc2)ccc1C(F)(F)F
InChIInChI=1S/C24H16F3N3O3.C22H13F3N4O2.C14H7BrF3NO.C10H10N2O2/c1-2-32-23(31)22-19-5-3-4-6-21(19)30(29-22)16-7-9-17(10-8-16)33-18-11-12-20(24(25,26)27)15(13-18)14-28;23-22(24,25)18-10-9-16(11-13(18)12-26)31-15-7-5-14(6-8-15)29-19-4-2-1-3-17(19)20(28-29)21(27)30;15-10-1-3-11(4-2-10)20-12-5-6-13(14(16,17)18)9(7-12)8-19;1-2-14-10(13)9-7-5-3-4-6-8(7)11-12-9/h3-13H,2H2,1H3;1-11H,(H2,27,30);1-7H;3-6H,2H2,1H3,(H,11,12)
InChIKeyHERXUOMFRFGCQF-UHFFFAOYSA-N
XLogP17.56
TPSA259.07 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001406.09
LogP ≤ 517.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 5-(4-bromophenoxy)-2-(trifluoromethyl)benzonitrile;1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxamide;ethyl 1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxylate;ethyl 1H-indazole-3-carboxylate 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-(4-bromophenoxy)-2-(trifluoromethyl)benzonitrile;ethane;ethyl 1H-indazole-3-carboxylate
CID 144297682
ethanol;ethyl 5-fluoro-1H-indazole-3-carboxylate;ethyl 5-fluoro-1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxylate;5-fluoro-1H-indazole-3-carboxylic acid;5-fluoro-1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxamide;1-iodo-4-[4-(trifluoromethyl)phenoxy]benzene
CID 162205051
2-aminoethanol;1-bromo-4-phenoxybenzene;ethyl 1H-indazole-3-carboxylate;ethyl 1-(4-phenoxyphenyl)indazole-3-carboxylate;hydroxylamine;N-(hydroxymethyl)-1-(4-phenoxyphenyl)indazole-3-carboxamide;N-hydroxy-1-(4-phenoxyphenyl)indazole-3-carboxamide;1-(4-phenoxyphenyl)indazole-3-carboxamide
CID 157676190
2-aminoethanol;1-bromo-4-phenoxybenzene;ethyl 1H-indazole-3-carboxylate;ethyl 1-(4-phenoxyphenyl)indazole-3-carboxylate;N-(2-hydroxyethyl)-1-(4-phenoxyphenyl)indazole-3-carboxamide;hydroxylamine;N-hydroxy-1-(4-phenoxyphenyl)indazole-3-carboxamide;1-(4-phenoxyphenyl)indazole-3-carboxamide
CID 158674718

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenoxy)-2-(trifluoromethyl)benzonitrile;1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxamide;ethyl 1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxylate;ethyl 1H-indazole-3-carboxylate?
The IUPAC name of 5-(4-bromophenoxy)-2-(trifluoromethyl)benzonitrile;1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxamide;ethyl 1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxylate;ethyl 1H-indazole-3-carboxylate (CID 158457065) is 5-(4-bromophenoxy)-2-(trifluoromethyl)benzonitrile;1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxamide;ethyl 1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxylate;ethyl 1H-indazole-3-carboxylate.
What is the SMILES notation for 5-(4-bromophenoxy)-2-(trifluoromethyl)benzonitrile;1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxamide;ethyl 1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxylate;ethyl 1H-indazole-3-carboxylate?
The canonical SMILES for 5-(4-bromophenoxy)-2-(trifluoromethyl)benzonitrile;1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxamide;ethyl 1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxylate;ethyl 1H-indazole-3-carboxylate is CCOC(=O)c1n[nH]c2ccccc12.CCOC(=O)c1nn(-c2ccc(Oc3ccc(C(F)(F)F)c(C#N)c3)cc2)c2ccccc12.N#Cc1cc(Oc2ccc(-n3nc(C(N)=O)c4ccccc43)cc2)ccc1C(F)(F)F.N#Cc1cc(Oc2ccc(Br)cc2)ccc1C(F)(F)F.
What is the InChIKey of 5-(4-bromophenoxy)-2-(trifluoromethyl)benzonitrile;1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxamide;ethyl 1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxylate;ethyl 1H-indazole-3-carboxylate?
The InChIKey is HERXUOMFRFGCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N3O3.C22H13F3N4O2.C14H7BrF3NO.C10H10N2O2/c1-2-32-23(31)22-19-5-3-4-6-21(19)30(29-22)16-7-9-17(10-8-16)33-18-11-12-20(24(25,26)27)15(13-18)14-28;23-22(24,25)18-10-9-16(11-13(18)12-26)31-15-7-5-14(6-8-15)29-19-4-2-1-3-17(19)20(28-29)21(27)30;15-10-1-3-11(4-2-10)20-12-5-6-13(14(16,17)18)9(7-12)8-19;1-2-14-10(13)9-7-5-3-4-6-8(7)11-12-9/h3-13H,2H2,1H3;1-11H,(H2,27,30);1-7H;3-6H,2H2,1H3,(H,11,12).
What are the key properties of 5-(4-bromophenoxy)-2-(trifluoromethyl)benzonitrile;1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxamide;ethyl 1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxylate;ethyl 1H-indazole-3-carboxylate?
5-(4-bromophenoxy)-2-(trifluoromethyl)benzonitrile;1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxamide;ethyl 1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxylate;ethyl 1H-indazole-3-carboxylate has a molecular weight of 1406.09 g/mol, XLogP of 17.56, 13 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenoxy)-2-(trifluoromethyl)benzonitrile;1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxamide;ethyl 1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxylate;ethyl 1H-indazole-3-carboxylate is sourced from PubChem (CID 158457065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).