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

C29H29F3N2O — CID 90488642

IUPAC3-(1-benzylindol-3-yl)-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)CNC(=O)CC(c1ccc(C(F)(F)F)cc1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C29H29F3N2O/c1-20(2)17-33-28(35)16-25(22-12-14-23(15-13-22)29(30,31)32)26-19-34(18-21-8-4-3-5-9-21)27-11-7-6-10-24(26)27/h3-15,19-20,25H,16-18H2,1-2H3,(H,33,35)
InChIKeyWYYYLPWNCCOOLJ-UHFFFAOYSA-N
MW478.56 g/mol
LogP7.00
Rot. Bonds8

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

3-(1-benzylindol-3-yl)-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 90488642) has the molecular formula C29H29F3N2O and a molecular weight of 478.56 g/mol. Its IUPAC name is 3-(1-benzylindol-3-yl)-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1-benzylindol-3-yl)-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID90488642
Molecular FormulaC29H29F3N2O
Molecular Weight478.56 g/mol
Exact Mass478.22
IUPAC Name3-(1-benzylindol-3-yl)-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)CNC(=O)CC(c1ccc(C(F)(F)F)cc1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C29H29F3N2O/c1-20(2)17-33-28(35)16-25(22-12-14-23(15-13-22)29(30,31)32)26-19-34(18-21-8-4-3-5-9-21)27-11-7-6-10-24(26)27/h3-15,19-20,25H,16-18H2,1-2H3,(H,33,35)
InChIKeyWYYYLPWNCCOOLJ-UHFFFAOYSA-N
XLogP7.00
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.56
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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
(3S)-3-(1-benzylindol-3-yl)-N-(2-methoxyethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 98670351
(3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 98443722
3-(1-benzylindol-3-yl)-N-(2-pyridin-2-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 90488623
(3S)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-(4-phenylmethoxyphenyl)propanamide
CID 98250713
(3S)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)propanamide
CID 93114899
(3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
CID 92957580
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-methylpropyl)propanamide
CID 3576257
(3R)-3-(1-benzylindol-3-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)-N-(2-methylpropyl)propanamide
CID 98250727
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-thiophen-2-ylpropanamide
CID 3620283
(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-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(1-benzylindol-3-yl)-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propanamide (CID 90488642) is 3-(1-benzylindol-3-yl)-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(1-benzylindol-3-yl)-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(1-benzylindol-3-yl)-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propanamide is CC(C)CNC(=O)CC(c1ccc(C(F)(F)F)cc1)c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 3-(1-benzylindol-3-yl)-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is WYYYLPWNCCOOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N2O/c1-20(2)17-33-28(35)16-25(22-12-14-23(15-13-22)29(30,31)32)26-19-34(18-21-8-4-3-5-9-21)27-11-7-6-10-24(26)27/h3-15,19-20,25H,16-18H2,1-2H3,(H,33,35).
What are the key properties of 3-(1-benzylindol-3-yl)-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propanamide?
3-(1-benzylindol-3-yl)-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 478.56 g/mol, XLogP of 7.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylindol-3-yl)-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 90488642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).