3-fluoro-N-[4-[(3-propan-2-yl-1H-indol-5-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]benzamide

C26H19F7N2O2 — CID 142086356

IUPAC3-fluoro-N-[4-[(3-propan-2-yl-1H-indol-5-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]benzamide
SMILESCC(C)c1c[nH]c2ccc(Oc3c(C(F)(F)F)cc(NC(=O)c4cccc(F)c4)cc3C(F)(F)F)cc12
InChIInChI=1S/C26H19F7N2O2/c1-13(2)19-12-34-22-7-6-17(11-18(19)22)37-23-20(25(28,29)30)9-16(10-21(23)26(31,32)33)35-24(36)14-4-3-5-15(27)8-14/h3-13,34H,1-2H3,(H,35,36)
InChIKeyJBTPTTLMEGDOBJ-UHFFFAOYSA-N
MW524.44 g/mol
LogP8.51
Rot. Bonds5

About 3-fluoro-N-[4-[(3-propan-2-yl-1H-indol-5-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]benzamide

3-fluoro-N-[4-[(3-propan-2-yl-1H-indol-5-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]benzamide (PubChem CID 142086356) has the molecular formula C26H19F7N2O2 and a molecular weight of 524.44 g/mol. Its IUPAC name is 3-fluoro-N-[4-[(3-propan-2-yl-1H-indol-5-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-[(3-propan-2-yl-1H-indol-5-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]benzamide
PubChem CID142086356
Molecular FormulaC26H19F7N2O2
Molecular Weight524.44 g/mol
Exact Mass524.13
IUPAC Name3-fluoro-N-[4-[(3-propan-2-yl-1H-indol-5-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]benzamide
SMILESCC(C)c1c[nH]c2ccc(Oc3c(C(F)(F)F)cc(NC(=O)c4cccc(F)c4)cc3C(F)(F)F)cc12
InChIInChI=1S/C26H19F7N2O2/c1-13(2)19-12-34-22-7-6-17(11-18(19)22)37-23-20(25(28,29)30)9-16(10-21(23)26(31,32)33)35-24(36)14-4-3-5-15(27)8-14/h3-13,34H,1-2H3,(H,35,36)
InChIKeyJBTPTTLMEGDOBJ-UHFFFAOYSA-N
XLogP8.51
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.44
LogP ≤ 58.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-[(3-propan-2-yl-1H-indol-5-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-[(3-propan-2-yl-1H-indol-5-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]benzamide (CID 142086356) is 3-fluoro-N-[4-[(3-propan-2-yl-1H-indol-5-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-[(3-propan-2-yl-1H-indol-5-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-[(3-propan-2-yl-1H-indol-5-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]benzamide is CC(C)c1c[nH]c2ccc(Oc3c(C(F)(F)F)cc(NC(=O)c4cccc(F)c4)cc3C(F)(F)F)cc12.
What is the InChIKey of 3-fluoro-N-[4-[(3-propan-2-yl-1H-indol-5-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]benzamide?
The InChIKey is JBTPTTLMEGDOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F7N2O2/c1-13(2)19-12-34-22-7-6-17(11-18(19)22)37-23-20(25(28,29)30)9-16(10-21(23)26(31,32)33)35-24(36)14-4-3-5-15(27)8-14/h3-13,34H,1-2H3,(H,35,36).
What are the key properties of 3-fluoro-N-[4-[(3-propan-2-yl-1H-indol-5-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]benzamide?
3-fluoro-N-[4-[(3-propan-2-yl-1H-indol-5-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]benzamide has a molecular weight of 524.44 g/mol, XLogP of 8.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-[(3-propan-2-yl-1H-indol-5-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 142086356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).