N-butyl-3-(1H-indol-3-yl)-3-[2-(trifluoromethyl)phenyl]propanamide

C22H23F3N2O — CID 42803917

IUPACN-butyl-3-(1H-indol-3-yl)-3-[2-(trifluoromethyl)phenyl]propanamide
SMILESCCCCNC(=O)CC(c1ccccc1C(F)(F)F)c1c[nH]c2ccccc12
InChIInChI=1S/C22H23F3N2O/c1-2-3-12-26-21(28)13-17(15-8-4-6-10-19(15)22(23,24)25)18-14-27-20-11-7-5-9-16(18)20/h4-11,14,17,27H,2-3,12-13H2,1H3,(H,26,28)
InChIKeyASIAQELIPDJTIZ-UHFFFAOYSA-N
MW388.43 g/mol
LogP5.62
Rot. Bonds7

About N-butyl-3-(1H-indol-3-yl)-3-[2-(trifluoromethyl)phenyl]propanamide

N-butyl-3-(1H-indol-3-yl)-3-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 42803917) has the molecular formula C22H23F3N2O and a molecular weight of 388.43 g/mol. Its IUPAC name is N-butyl-3-(1H-indol-3-yl)-3-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-butyl-3-(1H-indol-3-yl)-3-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID42803917
Molecular FormulaC22H23F3N2O
Molecular Weight388.43 g/mol
Exact Mass388.18
IUPAC NameN-butyl-3-(1H-indol-3-yl)-3-[2-(trifluoromethyl)phenyl]propanamide
SMILESCCCCNC(=O)CC(c1ccccc1C(F)(F)F)c1c[nH]c2ccccc12
InChIInChI=1S/C22H23F3N2O/c1-2-3-12-26-21(28)13-17(15-8-4-6-10-19(15)22(23,24)25)18-14-27-20-11-7-5-9-16(18)20/h4-11,14,17,27H,2-3,12-13H2,1H3,(H,26,28)
InChIKeyASIAQELIPDJTIZ-UHFFFAOYSA-N
XLogP5.62
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.43
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1H-indol-3-yl)-N-(2-methylpropyl)-3-[2-(trifluoromethyl)phenyl]propanamide
CID 42803915
3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
CID 3394392
3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide
CID 42803966
3-(7-ethyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)-3-[2-(trifluoromethyl)phenyl]propanamide
CID 42803891
3-(2-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 42808761
3-(2,4-difluorophenyl)-3-(1H-indol-3-yl)-N-(3-methoxypropyl)propanamide
CID 42803946
1-[2,2-bis(1H-indol-3-yl)ethyl]-3-butylthiourea
CID 172695613
N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide
CID 24599762
(3S)-N-benzyl-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 93299390
3-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 42804840
1-butyl-3-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]thiourea
CID 2108617
(3R)-3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 93122656

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(1H-indol-3-yl)-3-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-butyl-3-(1H-indol-3-yl)-3-[2-(trifluoromethyl)phenyl]propanamide (CID 42803917) is N-butyl-3-(1H-indol-3-yl)-3-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-butyl-3-(1H-indol-3-yl)-3-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-butyl-3-(1H-indol-3-yl)-3-[2-(trifluoromethyl)phenyl]propanamide is CCCCNC(=O)CC(c1ccccc1C(F)(F)F)c1c[nH]c2ccccc12.
What is the InChIKey of N-butyl-3-(1H-indol-3-yl)-3-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is ASIAQELIPDJTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O/c1-2-3-12-26-21(28)13-17(15-8-4-6-10-19(15)22(23,24)25)18-14-27-20-11-7-5-9-16(18)20/h4-11,14,17,27H,2-3,12-13H2,1H3,(H,26,28).
What are the key properties of N-butyl-3-(1H-indol-3-yl)-3-[2-(trifluoromethyl)phenyl]propanamide?
N-butyl-3-(1H-indol-3-yl)-3-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 388.43 g/mol, XLogP of 5.62, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(1H-indol-3-yl)-3-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 42803917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).