N-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]formamide

C22H12F7N3O — CID 87828814

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]formamide
SMILESO=CN(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C22H12F7N3O/c23-15-3-1-12(2-4-15)20-18-10-16(5-6-19(18)30-31-20)32(11-33)17-8-13(21(24,25)26)7-14(9-17)22(27,28)29/h1-11H,(H,30,31)
InChIKeyGDOCNPDJBTXJRZ-UHFFFAOYSA-N
MW467.34 g/mol
LogP6.70
Rot. Bonds4

About N-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]formamide

N-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]formamide (PubChem CID 87828814) has the molecular formula C22H12F7N3O and a molecular weight of 467.34 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]formamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]formamide
PubChem CID87828814
Molecular FormulaC22H12F7N3O
Molecular Weight467.34 g/mol
Exact Mass467.09
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]formamide
SMILESO=CN(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C22H12F7N3O/c23-15-3-1-12(2-4-15)20-18-10-16(5-6-19(18)30-31-20)32(11-33)17-8-13(21(24,25)26)7-14(9-17)22(27,28)29/h1-11H,(H,30,31)
InChIKeyGDOCNPDJBTXJRZ-UHFFFAOYSA-N
XLogP6.70
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.34
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]formamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]formamide (CID 87828814) is N-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]formamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]formamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]formamide is O=CN(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]formamide?
The InChIKey is GDOCNPDJBTXJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F7N3O/c23-15-3-1-12(2-4-15)20-18-10-16(5-6-19(18)30-31-20)32(11-33)17-8-13(21(24,25)26)7-14(9-17)22(27,28)29/h1-11H,(H,30,31).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]formamide?
N-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]formamide has a molecular weight of 467.34 g/mol, XLogP of 6.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]formamide is sourced from PubChem (CID 87828814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).