3-(1H-indol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide

C19H17F3N2O2 — CID 6736716

IUPAC3-(1H-indol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H17F3N2O2/c20-19(21,22)26-15-5-3-4-13(10-15)11-24-18(25)9-8-14-12-23-17-7-2-1-6-16(14)17/h1-7,10,12,23H,8-9,11H2,(H,24,25)
InChIKeyMRZSVGXLEQKQGV-UHFFFAOYSA-N
MW362.35 g/mol
LogP4.32
Rot. Bonds6

About 3-(1H-indol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide

3-(1H-indol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide (PubChem CID 6736716) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide
PubChem CID6736716
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name3-(1H-indol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H17F3N2O2/c20-19(21,22)26-15-5-3-4-13(10-15)11-24-18(25)9-8-14-12-23-17-7-2-1-6-16(14)17/h1-7,10,12,23H,8-9,11H2,(H,24,25)
InChIKeyMRZSVGXLEQKQGV-UHFFFAOYSA-N
XLogP4.32
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4782159
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 4806902
N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide
CID 118576354
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
(2R)-3-(1H-indol-3-yl)-N-(1-phenylethyl)-2-[[3-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 54408576
3-(1H-indol-3-yl)-N-(2-phenoxyethyl)propanamide
CID 4879910
3-(1H-indol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 53160277
2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 126477720
(2S)-N-[3-[[3-(1H-indol-3-yl)propanoylamino]methyl]phenyl]-2-methylbutanamide
CID 51954328
2-oxo-4-phenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]butanamide
CID 160603297
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 26447481
3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 17473957

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide (CID 6736716) is 3-(1H-indol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide is O=C(CCc1c[nH]c2ccccc12)NCc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide?
The InChIKey is MRZSVGXLEQKQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c20-19(21,22)26-15-5-3-4-13(10-15)11-24-18(25)9-8-14-12-23-17-7-2-1-6-16(14)17/h1-7,10,12,23H,8-9,11H2,(H,24,25).
What are the key properties of 3-(1H-indol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide?
3-(1H-indol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide has a molecular weight of 362.35 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 6736716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).