(2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)-[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium

C18H14F6N3O2+ — CID 7129716

IUPAC(2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)-[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium
SMILESO=C(NC([NH2+][C@H]1C(=O)Nc2ccccc21)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C18H13F6N3O2/c19-17(20,21)16(18(22,23)24,27-14(28)10-6-2-1-3-7-10)26-13-11-8-4-5-9-12(11)25-15(13)29/h1-9,13,26H,(H,25,29)(H,27,28)/p+1/t13-/m1/s1
InChIKeyDTNMOHIEYDQLHT-CYBMUJFWSA-O
MW418.32 g/mol
LogP2.49
Rot. Bonds4

About (2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)-[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium

(2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)-[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium (PubChem CID 7129716) has the molecular formula C18H14F6N3O2+ and a molecular weight of 418.32 g/mol. Its IUPAC name is (2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)-[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium.

Molecular Properties

Compound Name(2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)-[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium
PubChem CID7129716
Molecular FormulaC18H14F6N3O2+
Molecular Weight418.32 g/mol
Exact Mass418.10
IUPAC Name(2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)-[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium
SMILESO=C(NC([NH2+][C@H]1C(=O)Nc2ccccc21)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C18H13F6N3O2/c19-17(20,21)16(18(22,23)24,27-14(28)10-6-2-1-3-7-10)26-13-11-8-4-5-9-12(11)25-15(13)29/h1-9,13,26H,(H,25,29)(H,27,28)/p+1/t13-/m1/s1
InChIKeyDTNMOHIEYDQLHT-CYBMUJFWSA-O
XLogP2.49
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.32
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)-[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium?
The IUPAC name of (2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)-[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium (CID 7129716) is (2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)-[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium.
What is the SMILES notation for (2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)-[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium?
The canonical SMILES for (2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)-[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium is O=C(NC([NH2+][C@H]1C(=O)Nc2ccccc21)(C(F)(F)F)C(F)(F)F)c1ccccc1.
What is the InChIKey of (2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)-[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium?
The InChIKey is DTNMOHIEYDQLHT-CYBMUJFWSA-O. The full InChI is InChI=1S/C18H13F6N3O2/c19-17(20,21)16(18(22,23)24,27-14(28)10-6-2-1-3-7-10)26-13-11-8-4-5-9-12(11)25-15(13)29/h1-9,13,26H,(H,25,29)(H,27,28)/p+1/t13-/m1/s1.
What are the key properties of (2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)-[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium?
(2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)-[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium has a molecular weight of 418.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-1,1,1,3,3,3-hexafluoropropan-2-yl)-[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium is sourced from PubChem (CID 7129716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).