(3S)-N-benzyl-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide

C25H21F3N2O — CID 93299390

IUPAC(3S)-N-benzyl-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(C[C@@H](c1cccc(C(F)(F)F)c1)c1c[nH]c2ccccc12)NCc1ccccc1
InChIInChI=1S/C25H21F3N2O/c26-25(27,28)19-10-6-9-18(13-19)21(22-16-29-23-12-5-4-11-20(22)23)14-24(31)30-15-17-7-2-1-3-8-17/h1-13,16,21,29H,14-15H2,(H,30,31)/t21-/m0/s1
InChIKeySDOYIQXLRRVHJL-NRFANRHFSA-N
MW422.45 g/mol
LogP6.03
Rot. Bonds6

About (3S)-N-benzyl-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide

(3S)-N-benzyl-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 93299390) has the molecular formula C25H21F3N2O and a molecular weight of 422.45 g/mol. Its IUPAC name is (3S)-N-benzyl-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(3S)-N-benzyl-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID93299390
Molecular FormulaC25H21F3N2O
Molecular Weight422.45 g/mol
Exact Mass422.16
IUPAC Name(3S)-N-benzyl-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(C[C@@H](c1cccc(C(F)(F)F)c1)c1c[nH]c2ccccc12)NCc1ccccc1
InChIInChI=1S/C25H21F3N2O/c26-25(27,28)19-10-6-9-18(13-19)21(22-16-29-23-12-5-4-11-20(22)23)14-24(31)30-15-17-7-2-1-3-8-17/h1-13,16,21,29H,14-15H2,(H,30,31)/t21-/m0/s1
InChIKeySDOYIQXLRRVHJL-NRFANRHFSA-N
XLogP6.03
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.45
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (3S)-N-benzyl-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-3-(5-methoxy-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 83284963
3-(5-methoxy-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 91635014
(3R)-3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 93122656
N-benzyl-3-(1H-indol-3-yl)-3-(4-methylphenyl)propanamide
CID 46131344
3-(1H-indol-3-yl)-3-(3-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 5226219
N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 26729750
3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
CID 3394392
N-benzyl-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 4197390
(3S)-3-(1H-indol-3-yl)-1-[4-(4-nitrophenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 93122166
(3S)-3-(1H-indol-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 93122152
(3R)-3-(1-methylindol-3-yl)-N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 93122545
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 3336438

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzyl-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (3S)-N-benzyl-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide (CID 93299390) is (3S)-N-benzyl-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (3S)-N-benzyl-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (3S)-N-benzyl-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide is O=C(C[C@@H](c1cccc(C(F)(F)F)c1)c1c[nH]c2ccccc12)NCc1ccccc1.
What is the InChIKey of (3S)-N-benzyl-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is SDOYIQXLRRVHJL-NRFANRHFSA-N. The full InChI is InChI=1S/C25H21F3N2O/c26-25(27,28)19-10-6-9-18(13-19)21(22-16-29-23-12-5-4-11-20(22)23)14-24(31)30-15-17-7-2-1-3-8-17/h1-13,16,21,29H,14-15H2,(H,30,31)/t21-/m0/s1.
What are the key properties of (3S)-N-benzyl-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide?
(3S)-N-benzyl-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 422.45 g/mol, XLogP of 6.03, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzyl-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 93299390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).