3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

C27H25F3N2O — CID 3336438

IUPAC3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCc1cccc(C(CC(=O)NCc2cccc(C(F)(F)F)c2)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C27H25F3N2O/c1-18-7-5-9-20(13-18)23(24-17-32(2)25-12-4-3-11-22(24)25)15-26(33)31-16-19-8-6-10-21(14-19)27(28,29)30/h3-14,17,23H,15-16H2,1-2H3,(H,31,33)
InChIKeyQSGJXMSJLNODGW-UHFFFAOYSA-N
MW450.50 g/mol
LogP6.34
Rot. Bonds6

About 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 3336438) has the molecular formula C27H25F3N2O and a molecular weight of 450.50 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID3336438
Molecular FormulaC27H25F3N2O
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Name3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCc1cccc(C(CC(=O)NCc2cccc(C(F)(F)F)c2)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C27H25F3N2O/c1-18-7-5-9-20(13-18)23(24-17-32(2)25-12-4-3-11-22(24)25)15-26(33)31-16-19-8-6-10-21(14-19)27(28,29)30/h3-14,17,23H,15-16H2,1-2H3,(H,31,33)
InChIKeyQSGJXMSJLNODGW-UHFFFAOYSA-N
XLogP6.34
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.50
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336280
(3R)-3-(1-methylindol-3-yl)-N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 93122545
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-3-(1-methylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 93122572
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
CID 42774737
3-(1-ethylindol-3-yl)-3-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 42801362
(3R)-N-hexyl-3-(1-methylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 93122569
N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336287
3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanoic acid
CID 3542496
(3S)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-piperidin-1-ylethyl)propanamide
CID 1026696
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 3336286
(3S)-N-benzyl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide
CID 92952967
(3R)-N-[(4-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide
CID 92957100

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (CID 3336438) is 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is Cc1cccc(C(CC(=O)NCc2cccc(C(F)(F)F)c2)c2cn(C)c3ccccc23)c1.
What is the InChIKey of 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is QSGJXMSJLNODGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N2O/c1-18-7-5-9-20(13-18)23(24-17-32(2)25-12-4-3-11-22(24)25)15-26(33)31-16-19-8-6-10-21(14-19)27(28,29)30/h3-14,17,23H,15-16H2,1-2H3,(H,31,33).
What are the key properties of 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 450.50 g/mol, XLogP of 6.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 3336438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).