2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide

C89H63BrF12N12O5 — CID 159101841

IUPAC2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
SMILESCc1ccccc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccccc1Br.O=C(Nc1nn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)c1ccoc1.[C-]#[N+]c1ccccc1C(=O)Cc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C24H16F3N3O.C23H18F3N3O.C22H15BrF3N3O.C20H14F3N3O2/c1-28-20-8-4-2-7-19(20)23(31)14-21-18-6-3-5-9-22(18)30(29-21)15-16-10-12-17(13-11-16)24(25,26)27;1-15-6-2-3-7-18(15)22(30)27-21-19-8-4-5-9-20(19)29(28-21)14-16-10-12-17(13-11-16)23(24,25)26;23-18-7-3-1-5-16(18)21(30)27-20-17-6-2-4-8-19(17)29(28-20)13-14-9-11-15(12-10-14)22(24,25)26;21-20(22,23)15-5-3-4-13(10-15)11-26-17-7-2-1-6-16(17)18(25-26)24-19(27)14-8-9-28-12-14/h2-13H,14-15H2;2-13H,14H2,1H3,(H,27,28,30);1-12H,13H2,(H,27,28,30);1-10,12H,11H2,(H,24,25,27)
InChIKeyKDJPLLBLOQAHOQ-UHFFFAOYSA-N
MW1688.44 g/mol
LogP22.81
Rot. Bonds17

About 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide

2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide (PubChem CID 159101841) has the molecular formula C89H63BrF12N12O5 and a molecular weight of 1688.44 g/mol. Its IUPAC name is 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
PubChem CID159101841
Molecular FormulaC89H63BrF12N12O5
Molecular Weight1688.44 g/mol
Exact Mass1686.40
IUPAC Name2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
SMILESCc1ccccc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccccc1Br.O=C(Nc1nn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)c1ccoc1.[C-]#[N+]c1ccccc1C(=O)Cc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C24H16F3N3O.C23H18F3N3O.C22H15BrF3N3O.C20H14F3N3O2/c1-28-20-8-4-2-7-19(20)23(31)14-21-18-6-3-5-9-22(18)30(29-21)15-16-10-12-17(13-11-16)24(25,26)27;1-15-6-2-3-7-18(15)22(30)27-21-19-8-4-5-9-20(19)29(28-21)14-16-10-12-17(13-11-16)23(24,25)26;23-18-7-3-1-5-16(18)21(30)27-20-17-6-2-4-8-19(17)29(28-20)13-14-9-11-15(12-10-14)22(24,25)26;21-20(22,23)15-5-3-4-13(10-15)11-26-17-7-2-1-6-16(17)18(25-26)24-19(27)14-8-9-28-12-14/h2-13H,14-15H2;2-13H,14H2,1H3,(H,27,28,30);1-12H,13H2,(H,27,28,30);1-10,12H,11H2,(H,24,25,27)
InChIKeyKDJPLLBLOQAHOQ-UHFFFAOYSA-N
XLogP22.81
TPSA193.15 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001688.44
LogP ≤ 522.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzylindazol-3-yl)-5-[3-(furan-3-carbonylamino)-1-[[2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]furan-3-carboxamide
CID 126603611
1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-naphthalen-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole
CID 157300464
2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[(2-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine
CID 157523985
2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;2-isocyano-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide
CID 157721063
1-[(4-chlorophenyl)methyl]indazol-3-amine;2-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;3-fluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;2-methyl-N-[7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
CID 158702129
2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide
CID 158843813
bis(2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide);N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridazine-3-carboxamide
CID 160442567
2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;2-hydroxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrazole-4-carboxamide
CID 160579756
2,3-difluoro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]furan-3-carboxamide;5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[5-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
CID 161474720

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide (CID 159101841) is 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide is Cc1ccccc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccccc1Br.O=C(Nc1nn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)c1ccoc1.[C-]#[N+]c1ccccc1C(=O)Cc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.
What is the InChIKey of 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?
The InChIKey is KDJPLLBLOQAHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N3O.C23H18F3N3O.C22H15BrF3N3O.C20H14F3N3O2/c1-28-20-8-4-2-7-19(20)23(31)14-21-18-6-3-5-9-22(18)30(29-21)15-16-10-12-17(13-11-16)24(25,26)27;1-15-6-2-3-7-18(15)22(30)27-21-19-8-4-5-9-20(19)29(28-21)14-16-10-12-17(13-11-16)23(24,25)26;23-18-7-3-1-5-16(18)21(30)27-20-17-6-2-4-8-19(17)29(28-20)13-14-9-11-15(12-10-14)22(24,25)26;21-20(22,23)15-5-3-4-13(10-15)11-26-17-7-2-1-6-16(17)18(25-26)24-19(27)14-8-9-28-12-14/h2-13H,14-15H2;2-13H,14H2,1H3,(H,27,28,30);1-12H,13H2,(H,27,28,30);1-10,12H,11H2,(H,24,25,27).
What are the key properties of 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide?
2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide has a molecular weight of 1688.44 g/mol, XLogP of 22.81, 17 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 159101841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).