(3R)-3-(1-methylindol-3-yl)-N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]propanamide

C27H25F3N2O — CID 93122545

IUPAC(3R)-3-(1-methylindol-3-yl)-N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCn1cc([C@H](CC(=O)NCCc2ccccc2)c2cccc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C27H25F3N2O/c1-32-18-24(22-12-5-6-13-25(22)32)23(20-10-7-11-21(16-20)27(28,29)30)17-26(33)31-15-14-19-8-3-2-4-9-19/h2-13,16,18,23H,14-15,17H2,1H3,(H,31,33)/t23-/m1/s1
InChIKeyONYZKFGDESBKKR-HSZRJFAPSA-N
MW450.50 g/mol
LogP6.08
Rot. Bonds7

About (3R)-3-(1-methylindol-3-yl)-N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]propanamide

(3R)-3-(1-methylindol-3-yl)-N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 93122545) has the molecular formula C27H25F3N2O and a molecular weight of 450.50 g/mol. Its IUPAC name is (3R)-3-(1-methylindol-3-yl)-N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(3R)-3-(1-methylindol-3-yl)-N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID93122545
Molecular FormulaC27H25F3N2O
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Name(3R)-3-(1-methylindol-3-yl)-N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCn1cc([C@H](CC(=O)NCCc2ccccc2)c2cccc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C27H25F3N2O/c1-32-18-24(22-12-5-6-13-25(22)32)23(20-10-7-11-21(16-20)27(28,29)30)17-26(33)31-15-14-19-8-3-2-4-9-19/h2-13,16,18,23H,14-15,17H2,1H3,(H,31,33)/t23-/m1/s1
InChIKeyONYZKFGDESBKKR-HSZRJFAPSA-N
XLogP6.08
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.50
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-hexyl-3-(1-methylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 93122569
3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 42774761
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 3336438
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-3-(1-methylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 93122572
N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336280
3-(1-ethylindol-3-yl)-3-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 42801362
N-(2-methoxyethyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 83287622
N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336287
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-phenylethyl)propanamide
CID 5000823
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
CID 42774737
(3S)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-piperidin-1-ylethyl)propanamide
CID 1026696
(3S)-N-benzyl-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 93299390

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1-methylindol-3-yl)-N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (3R)-3-(1-methylindol-3-yl)-N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]propanamide (CID 93122545) is (3R)-3-(1-methylindol-3-yl)-N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (3R)-3-(1-methylindol-3-yl)-N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (3R)-3-(1-methylindol-3-yl)-N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]propanamide is Cn1cc([C@H](CC(=O)NCCc2ccccc2)c2cccc(C(F)(F)F)c2)c2ccccc21.
What is the InChIKey of (3R)-3-(1-methylindol-3-yl)-N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is ONYZKFGDESBKKR-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H25F3N2O/c1-32-18-24(22-12-5-6-13-25(22)32)23(20-10-7-11-21(16-20)27(28,29)30)17-26(33)31-15-14-19-8-3-2-4-9-19/h2-13,16,18,23H,14-15,17H2,1H3,(H,31,33)/t23-/m1/s1.
What are the key properties of (3R)-3-(1-methylindol-3-yl)-N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]propanamide?
(3R)-3-(1-methylindol-3-yl)-N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 450.50 g/mol, XLogP of 6.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1-methylindol-3-yl)-N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 93122545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).