1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide

C22H14Cl2F3N3O — CID 58138911

IUPAC1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H14Cl2F3N3O/c23-18-8-7-15(10-19(18)24)30-20-6-2-5-16(17(20)12-29-30)21(31)28-11-13-3-1-4-14(9-13)22(25,26)27/h1-10,12H,11H2,(H,28,31)
InChIKeyIIJWGWHORFYKGB-UHFFFAOYSA-N
MW464.27 g/mol
LogP6.28
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide

1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide (PubChem CID 58138911) has the molecular formula C22H14Cl2F3N3O and a molecular weight of 464.27 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
PubChem CID58138911
Molecular FormulaC22H14Cl2F3N3O
Molecular Weight464.27 g/mol
Exact Mass463.05
IUPAC Name1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H14Cl2F3N3O/c23-18-8-7-15(10-19(18)24)30-20-6-2-5-16(17(20)12-29-30)21(31)28-11-13-3-1-4-14(9-13)22(25,26)27/h1-10,12H,11H2,(H,28,31)
InChIKeyIIJWGWHORFYKGB-UHFFFAOYSA-N
XLogP6.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.27
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide (CID 58138911) is 1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
The InChIKey is IIJWGWHORFYKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2F3N3O/c23-18-8-7-15(10-19(18)24)30-20-6-2-5-16(17(20)12-29-30)21(31)28-11-13-3-1-4-14(9-13)22(25,26)27/h1-10,12H,11H2,(H,28,31).
What are the key properties of 1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide has a molecular weight of 464.27 g/mol, XLogP of 6.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide is sourced from PubChem (CID 58138911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).