(2R)-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-[4-(trifluoromethyl)anilino]butanamide

C22H24F3N3O — CID 11628784

IUPAC(2R)-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-[4-(trifluoromethyl)anilino]butanamide
SMILESCC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H24F3N3O/c1-14(2)20(28-17-9-7-16(8-10-17)22(23,24)25)21(29)26-12-11-15-13-27-19-6-4-3-5-18(15)19/h3-10,13-14,20,27-28H,11-12H2,1-2H3,(H,26,29)/t20-/m1/s1
InChIKeyWHOXEOAWMZFITG-HXUWFJFHSA-N
MW403.45 g/mol
LogP4.98
Rot. Bonds7

About (2R)-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-[4-(trifluoromethyl)anilino]butanamide

(2R)-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-[4-(trifluoromethyl)anilino]butanamide (PubChem CID 11628784) has the molecular formula C22H24F3N3O and a molecular weight of 403.45 g/mol. Its IUPAC name is (2R)-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-[4-(trifluoromethyl)anilino]butanamide.

Molecular Properties

Compound Name(2R)-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-[4-(trifluoromethyl)anilino]butanamide
PubChem CID11628784
Molecular FormulaC22H24F3N3O
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC Name(2R)-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-[4-(trifluoromethyl)anilino]butanamide
SMILESCC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1)C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H24F3N3O/c1-14(2)20(28-17-9-7-16(8-10-17)22(23,24)25)21(29)26-12-11-15-13-27-19-6-4-3-5-18(15)19/h3-10,13-14,20,27-28H,11-12H2,1-2H3,(H,26,29)/t20-/m1/s1
InChIKeyWHOXEOAWMZFITG-HXUWFJFHSA-N
XLogP4.98
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (2R)-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-[4-(trifluoromethyl)anilino]butanamide with MolForge

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Related Compounds

(2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-N-[2-(1H-indol-3-yl)ethyl]-3-methylbutanamide
CID 2112816
(2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-N-[2-(1H-indol-3-yl)ethyl]-3-methylbutanamide
CID 2112817
N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112993932
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7960233
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
4-[2-(1H-indol-3-yl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496413
4-(1H-indol-3-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 24544360
4-ethoxy-N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 35769791
3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 100943042
2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 79792358
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-[4-(trifluoromethyl)anilino]butanamide?
The IUPAC name of (2R)-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-[4-(trifluoromethyl)anilino]butanamide (CID 11628784) is (2R)-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-[4-(trifluoromethyl)anilino]butanamide.
What is the SMILES notation for (2R)-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-[4-(trifluoromethyl)anilino]butanamide?
The canonical SMILES for (2R)-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-[4-(trifluoromethyl)anilino]butanamide is CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1)C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of (2R)-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-[4-(trifluoromethyl)anilino]butanamide?
The InChIKey is WHOXEOAWMZFITG-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24F3N3O/c1-14(2)20(28-17-9-7-16(8-10-17)22(23,24)25)21(29)26-12-11-15-13-27-19-6-4-3-5-18(15)19/h3-10,13-14,20,27-28H,11-12H2,1-2H3,(H,26,29)/t20-/m1/s1.
What are the key properties of (2R)-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-[4-(trifluoromethyl)anilino]butanamide?
(2R)-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-[4-(trifluoromethyl)anilino]butanamide has a molecular weight of 403.45 g/mol, XLogP of 4.98, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-2-[4-(trifluoromethyl)anilino]butanamide is sourced from PubChem (CID 11628784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).