4-(1H-indol-3-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide

C21H21F3N2O — CID 24544360

IUPAC4-(1H-indol-3-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H21F3N2O/c22-21(23,24)17-10-8-15(9-11-17)12-13-25-20(27)7-3-4-16-14-26-19-6-2-1-5-18(16)19/h1-2,5-6,8-11,14,26H,3-4,7,12-13H2,(H,25,27)
InChIKeyFWQRFTQFQNAIGI-UHFFFAOYSA-N
MW374.41 g/mol
LogP4.87
Rot. Bonds7

About 4-(1H-indol-3-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide

4-(1H-indol-3-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide (PubChem CID 24544360) has the molecular formula C21H21F3N2O and a molecular weight of 374.41 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
PubChem CID24544360
Molecular FormulaC21H21F3N2O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name4-(1H-indol-3-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H21F3N2O/c22-21(23,24)17-10-8-15(9-11-17)12-13-25-20(27)7-3-4-16-14-26-19-6-2-1-5-18(16)19/h1-2,5-6,8-11,14,26H,3-4,7,12-13H2,(H,25,27)
InChIKeyFWQRFTQFQNAIGI-UHFFFAOYSA-N
XLogP4.87
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[4-(1H-indol-3-yl)butanoylamino]ethyl]-4-(trifluoromethyl)benzamide
CID 55545954
N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 4796028
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112993932
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
CID 2114507
3-(4-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 28712929
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
CID 62658030
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 61259839
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide (CID 24544360) is 4-(1H-indol-3-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide is O=C(CCCc1c[nH]c2ccccc12)NCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide?
The InChIKey is FWQRFTQFQNAIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O/c22-21(23,24)17-10-8-15(9-11-17)12-13-25-20(27)7-3-4-16-14-26-19-6-2-1-5-18(16)19/h1-2,5-6,8-11,14,26H,3-4,7,12-13H2,(H,25,27).
What are the key properties of 4-(1H-indol-3-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide?
4-(1H-indol-3-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide has a molecular weight of 374.41 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide is sourced from PubChem (CID 24544360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).