3-(1-benzylindol-3-yl)-N-(2-pyridin-2-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide

C32H28F3N3O — CID 90488623

IUPAC3-(1-benzylindol-3-yl)-N-(2-pyridin-2-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CC(c1ccc(C(F)(F)F)cc1)c1cn(Cc2ccccc2)c2ccccc12)NCCc1ccccn1
InChIInChI=1S/C32H28F3N3O/c33-32(34,35)25-15-13-24(14-16-25)28(20-31(39)37-19-17-26-10-6-7-18-36-26)29-22-38(21-23-8-2-1-3-9-23)30-12-5-4-11-27(29)30/h1-16,18,22,28H,17,19-21H2,(H,37,39)
InChIKeyMPHQBNINXZEHRS-UHFFFAOYSA-N
MW527.59 g/mol
LogP6.98
Rot. Bonds9

About 3-(1-benzylindol-3-yl)-N-(2-pyridin-2-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide

3-(1-benzylindol-3-yl)-N-(2-pyridin-2-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 90488623) has the molecular formula C32H28F3N3O and a molecular weight of 527.59 g/mol. Its IUPAC name is 3-(1-benzylindol-3-yl)-N-(2-pyridin-2-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1-benzylindol-3-yl)-N-(2-pyridin-2-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID90488623
Molecular FormulaC32H28F3N3O
Molecular Weight527.59 g/mol
Exact Mass527.22
IUPAC Name3-(1-benzylindol-3-yl)-N-(2-pyridin-2-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CC(c1ccc(C(F)(F)F)cc1)c1cn(Cc2ccccc2)c2ccccc12)NCCc1ccccn1
InChIInChI=1S/C32H28F3N3O/c33-32(34,35)25-15-13-24(14-16-25)28(20-31(39)37-19-17-26-10-6-7-18-36-26)29-22-38(21-23-8-2-1-3-9-23)30-12-5-4-11-27(29)30/h1-16,18,22,28H,17,19-21H2,(H,37,39)
InChIKeyMPHQBNINXZEHRS-UHFFFAOYSA-N
XLogP6.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.59
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1-benzylindol-3-yl)-N-(2-pyridin-2-ylethyl)-3-[4-(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

3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 5003122
(3S)-3-(1-benzylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 98926938
(3R)-3-(1-benzylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 98926939
(3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(4-phenylmethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 98443619
(3S)-3-(1-benzylindol-3-yl)-N-(2-methoxyethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 98670351
3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 83288318
3-(1-benzylindol-3-yl)-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 90488642
(3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 98443722
3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 3880798
3-[1-[(4-methylphenyl)methyl]indol-3-yl]-3-(3-phenylmethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 90488621
3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide
CID 83285095
(3R)-3-(1-benzylindol-3-yl)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 98926923

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylindol-3-yl)-N-(2-pyridin-2-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(1-benzylindol-3-yl)-N-(2-pyridin-2-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide (CID 90488623) is 3-(1-benzylindol-3-yl)-N-(2-pyridin-2-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(1-benzylindol-3-yl)-N-(2-pyridin-2-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(1-benzylindol-3-yl)-N-(2-pyridin-2-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide is O=C(CC(c1ccc(C(F)(F)F)cc1)c1cn(Cc2ccccc2)c2ccccc12)NCCc1ccccn1.
What is the InChIKey of 3-(1-benzylindol-3-yl)-N-(2-pyridin-2-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is MPHQBNINXZEHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F3N3O/c33-32(34,35)25-15-13-24(14-16-25)28(20-31(39)37-19-17-26-10-6-7-18-36-26)29-22-38(21-23-8-2-1-3-9-23)30-12-5-4-11-27(29)30/h1-16,18,22,28H,17,19-21H2,(H,37,39).
What are the key properties of 3-(1-benzylindol-3-yl)-N-(2-pyridin-2-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide?
3-(1-benzylindol-3-yl)-N-(2-pyridin-2-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 527.59 g/mol, XLogP of 6.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylindol-3-yl)-N-(2-pyridin-2-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 90488623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).