N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-1-methylindole-3-carboxamide

C26H22F4N2O2 — CID 22261997

IUPACN-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)NC(Cc2ccc(C(F)(F)F)cc2)C(O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C26H22F4N2O2/c1-32-15-21(20-4-2-3-5-23(20)32)25(34)31-22(24(33)17-8-12-19(27)13-9-17)14-16-6-10-18(11-7-16)26(28,29)30/h2-13,15,22,24,33H,14H2,1H3,(H,31,34)
InChIKeyWGCFRUWKHAIIRU-UHFFFAOYSA-N
MW470.47 g/mol
LogP5.41
Rot. Bonds6

About N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-1-methylindole-3-carboxamide

N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-1-methylindole-3-carboxamide (PubChem CID 22261997) has the molecular formula C26H22F4N2O2 and a molecular weight of 470.47 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-1-methylindole-3-carboxamide
PubChem CID22261997
Molecular FormulaC26H22F4N2O2
Molecular Weight470.47 g/mol
Exact Mass470.16
IUPAC NameN-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)NC(Cc2ccc(C(F)(F)F)cc2)C(O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C26H22F4N2O2/c1-32-15-21(20-4-2-3-5-23(20)32)25(34)31-22(24(33)17-8-12-19(27)13-9-17)14-16-6-10-18(11-7-16)26(28,29)30/h2-13,15,22,24,33H,14H2,1H3,(H,31,34)
InChIKeyWGCFRUWKHAIIRU-UHFFFAOYSA-N
XLogP5.41
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.47
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-1-methylindole-3-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-1-methylindole-3-carboxamide (CID 22261997) is N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-1-methylindole-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-1-methylindole-3-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-1-methylindole-3-carboxamide is Cn1cc(C(=O)NC(Cc2ccc(C(F)(F)F)cc2)C(O)c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-1-methylindole-3-carboxamide?
The InChIKey is WGCFRUWKHAIIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F4N2O2/c1-32-15-21(20-4-2-3-5-23(20)32)25(34)31-22(24(33)17-8-12-19(27)13-9-17)14-16-6-10-18(11-7-16)26(28,29)30/h2-13,15,22,24,33H,14H2,1H3,(H,31,34).
What are the key properties of N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-1-methylindole-3-carboxamide?
N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-1-methylindole-3-carboxamide has a molecular weight of 470.47 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-1-hydroxy-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 22261997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).