N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-indol-1-ylpropanamide

C20H19F3N2O3 — CID 49089739

IUPACN-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-indol-1-ylpropanamide
SMILESO=C(CCn1ccc2ccccc21)NCC(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)28-16-7-5-15(6-8-16)18(26)13-24-19(27)10-12-25-11-9-14-3-1-2-4-17(14)25/h1-9,11,18,26H,10,12-13H2,(H,24,27)
InChIKeyUVQJSUMVBNNMEQ-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.78
Rot. Bonds7

About N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-indol-1-ylpropanamide

N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-indol-1-ylpropanamide (PubChem CID 49089739) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-indol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-indol-1-ylpropanamide
PubChem CID49089739
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-indol-1-ylpropanamide
SMILESO=C(CCn1ccc2ccccc21)NCC(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)28-16-7-5-15(6-8-16)18(26)13-24-19(27)10-12-25-11-9-14-3-1-2-4-17(14)25/h1-9,11,18,26H,10,12-13H2,(H,24,27)
InChIKeyUVQJSUMVBNNMEQ-UHFFFAOYSA-N
XLogP3.78
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-indol-1-ylpropanoylamino)-2-methylpropanoic acid
CID 119236973
3-indol-1-yl-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 18115503
3-indol-1-yl-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 55580848
N-(3-hydroxybutyl)-3-indol-1-ylpropanamide
CID 111429170
2-(4-bromophenyl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 49089872
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-indol-1-ylpropanamide
CID 18129742
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methyl-4-phenylpentanamide
CID 109380164
N'-(2-cyanoethyl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-N'-phenylbutanediamide
CID 56578033
3-(3,4-dimethoxyphenyl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide
CID 49090041
(1R,2S)-1-indol-1-yl-3-(methylamino)-1-[4-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 68906584
2-[2-(3-indol-1-ylpropanoylamino)ethoxy]propanoic acid
CID 110495262
2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide
CID 108750477

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-indol-1-ylpropanamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-indol-1-ylpropanamide (CID 49089739) is N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-indol-1-ylpropanamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-indol-1-ylpropanamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-indol-1-ylpropanamide is O=C(CCn1ccc2ccccc21)NCC(O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-indol-1-ylpropanamide?
The InChIKey is UVQJSUMVBNNMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c21-20(22,23)28-16-7-5-15(6-8-16)18(26)13-24-19(27)10-12-25-11-9-14-3-1-2-4-17(14)25/h1-9,11,18,26H,10,12-13H2,(H,24,27).
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-indol-1-ylpropanamide?
N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-indol-1-ylpropanamide has a molecular weight of 392.38 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-indol-1-ylpropanamide is sourced from PubChem (CID 49089739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).