N-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide

C21H15F4N3O2 — CID 122654888

IUPACN-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
SMILESO=C(Nc1cc(Oc2cc(F)cc(C(F)(F)F)c2)ccn1)c1cccc2c1CCN2
InChIInChI=1S/C21H15F4N3O2/c22-13-8-12(21(23,24)25)9-15(10-13)30-14-4-6-27-19(11-14)28-20(29)17-2-1-3-18-16(17)5-7-26-18/h1-4,6,8-11,26H,5,7H2,(H,27,28,29)
InChIKeyNVBLEKQWMFTSHM-UHFFFAOYSA-N
MW417.36 g/mol
LogP5.25
Rot. Bonds4

About N-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide

N-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide (PubChem CID 122654888) has the molecular formula C21H15F4N3O2 and a molecular weight of 417.36 g/mol. Its IUPAC name is N-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
PubChem CID122654888
Molecular FormulaC21H15F4N3O2
Molecular Weight417.36 g/mol
Exact Mass417.11
IUPAC NameN-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide
SMILESO=C(Nc1cc(Oc2cc(F)cc(C(F)(F)F)c2)ccn1)c1cccc2c1CCN2
InChIInChI=1S/C21H15F4N3O2/c22-13-8-12(21(23,24)25)9-15(10-13)30-14-4-6-27-19(11-14)28-20(29)17-2-1-3-18-16(17)5-7-26-18/h1-4,6,8-11,26H,5,7H2,(H,27,28,29)
InChIKeyNVBLEKQWMFTSHM-UHFFFAOYSA-N
XLogP5.25
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.36
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?
The IUPAC name of N-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide (CID 122654888) is N-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide.
What is the SMILES notation for N-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?
The canonical SMILES for N-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide is O=C(Nc1cc(Oc2cc(F)cc(C(F)(F)F)c2)ccn1)c1cccc2c1CCN2.
What is the InChIKey of N-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?
The InChIKey is NVBLEKQWMFTSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N3O2/c22-13-8-12(21(23,24)25)9-15(10-13)30-14-4-6-27-19(11-14)28-20(29)17-2-1-3-18-16(17)5-7-26-18/h1-4,6,8-11,26H,5,7H2,(H,27,28,29).
What are the key properties of N-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide?
N-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide has a molecular weight of 417.36 g/mol, XLogP of 5.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]-2,3-dihydro-1H-indole-4-carboxamide is sourced from PubChem (CID 122654888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).