2-(4-phenylmethoxy-1H-indol-3-yl)ethyl N-(2,2,2-trifluoroethyl)carbamate

C20H19F3N2O3 — CID 166732587

IUPAC2-(4-phenylmethoxy-1H-indol-3-yl)ethyl N-(2,2,2-trifluoroethyl)carbamate
SMILESO=C(NCC(F)(F)F)OCCc1c[nH]c2cccc(OCc3ccccc3)c12
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)13-25-19(26)27-10-9-15-11-24-16-7-4-8-17(18(15)16)28-12-14-5-2-1-3-6-14/h1-8,11,24H,9-10,12-13H2,(H,25,26)
InChIKeyOUMHYCWIUPPOJT-UHFFFAOYSA-N
MW392.38 g/mol
LogP4.58
Rot. Bonds7

About 2-(4-phenylmethoxy-1H-indol-3-yl)ethyl N-(2,2,2-trifluoroethyl)carbamate

2-(4-phenylmethoxy-1H-indol-3-yl)ethyl N-(2,2,2-trifluoroethyl)carbamate (PubChem CID 166732587) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 2-(4-phenylmethoxy-1H-indol-3-yl)ethyl N-(2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Name2-(4-phenylmethoxy-1H-indol-3-yl)ethyl N-(2,2,2-trifluoroethyl)carbamate
PubChem CID166732587
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name2-(4-phenylmethoxy-1H-indol-3-yl)ethyl N-(2,2,2-trifluoroethyl)carbamate
SMILESO=C(NCC(F)(F)F)OCCc1c[nH]c2cccc(OCc3ccccc3)c12
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)13-25-19(26)27-10-9-15-11-24-16-7-4-8-17(18(15)16)28-12-14-5-2-1-3-6-14/h1-8,11,24H,9-10,12-13H2,(H,25,26)
InChIKeyOUMHYCWIUPPOJT-UHFFFAOYSA-N
XLogP4.58
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-2-(4-phenylmethoxy-1H-indol-3-yl)acetyl chloride
CID 144992404
N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 24801934
N-methyl-N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]propan-2-amine
CID 156852024
1-(4-phenylmethoxy-1H-indol-3-yl)ethanone
CID 158905078
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-phenylmethoxy-1H-indol-3-yl)propanoic acid
CID 170881860
N-[(E)-(4-phenylmethoxy-1H-indol-3-yl)methylideneamino]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 174161231
2,4,6-trimethyl-N-[1,1,1-trifluoro-3-(4-phenylmethoxy-1H-indol-3-yl)propan-2-yl]benzenesulfonamide
CID 11684972
benzyl (2R)-2-amino-3-(4-methoxy-1H-indol-3-yl)propanoate
CID 102380446
[(2R)-2-[(4-phenylmethoxy-1H-indol-3-yl)methyl]pyrrolidin-1-yl] benzoate
CID 156821027
benzyl N-[2-(4-iodo-1H-indol-3-yl)-2-oxoethyl]carbamate
CID 11102117
4-phenylmethoxy-1H-indole-3-carbonitrile
CID 12798006
2-(4-ethoxy-1H-indol-3-yl)acetic acid
CID 45094545

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxy-1H-indol-3-yl)ethyl N-(2,2,2-trifluoroethyl)carbamate?
The IUPAC name of 2-(4-phenylmethoxy-1H-indol-3-yl)ethyl N-(2,2,2-trifluoroethyl)carbamate (CID 166732587) is 2-(4-phenylmethoxy-1H-indol-3-yl)ethyl N-(2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for 2-(4-phenylmethoxy-1H-indol-3-yl)ethyl N-(2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for 2-(4-phenylmethoxy-1H-indol-3-yl)ethyl N-(2,2,2-trifluoroethyl)carbamate is O=C(NCC(F)(F)F)OCCc1c[nH]c2cccc(OCc3ccccc3)c12.
What is the InChIKey of 2-(4-phenylmethoxy-1H-indol-3-yl)ethyl N-(2,2,2-trifluoroethyl)carbamate?
The InChIKey is OUMHYCWIUPPOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c21-20(22,23)13-25-19(26)27-10-9-15-11-24-16-7-4-8-17(18(15)16)28-12-14-5-2-1-3-6-14/h1-8,11,24H,9-10,12-13H2,(H,25,26).
What are the key properties of 2-(4-phenylmethoxy-1H-indol-3-yl)ethyl N-(2,2,2-trifluoroethyl)carbamate?
2-(4-phenylmethoxy-1H-indol-3-yl)ethyl N-(2,2,2-trifluoroethyl)carbamate has a molecular weight of 392.38 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxy-1H-indol-3-yl)ethyl N-(2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 166732587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).