(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide

C20H18F3N3O2 — CID 122640121

IUPAC(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide
SMILESC[C@](O)(CN1CCc2ccccc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C20H18F3N3O2/c1-19(28,12-26-9-8-13-4-2-3-5-17(13)26)18(27)25-15-7-6-14(11-24)16(10-15)20(21,22)23/h2-7,10,28H,8-9,12H2,1H3,(H,25,27)/t19-/m0/s1
InChIKeyLUSHFZWMXXNPGO-IBGZPJMESA-N
MW389.38 g/mol
LogP3.33
Rot. Bonds4

About (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide

(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide (PubChem CID 122640121) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide
PubChem CID122640121
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide
SMILESC[C@](O)(CN1CCc2ccccc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C20H18F3N3O2/c1-19(28,12-26-9-8-13-4-2-3-5-17(13)26)18(27)25-15-7-6-14(11-24)16(10-15)20(21,22)23/h2-7,10,28H,8-9,12H2,1H3,(H,25,27)/t19-/m0/s1
InChIKeyLUSHFZWMXXNPGO-IBGZPJMESA-N
XLogP3.33
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide?
The IUPAC name of (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide (CID 122640121) is (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide?
The canonical SMILES for (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide is C[C@](O)(CN1CCc2ccccc21)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide?
The InChIKey is LUSHFZWMXXNPGO-IBGZPJMESA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-19(28,12-26-9-8-13-4-2-3-5-17(13)26)18(27)25-15-7-6-14(11-24)16(10-15)20(21,22)23/h2-7,10,28H,8-9,12H2,1H3,(H,25,27)/t19-/m0/s1.
What are the key properties of (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide?
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide has a molecular weight of 389.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 122640121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).