2-[4-(trifluoromethyl)phenyl]ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate

C20H21F3N2O2 — CID 67240050

IUPAC2-[4-(trifluoromethyl)phenyl]ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
SMILESO=C(Nc1ccc(C2CCNC2)cc1)OCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)17-5-1-14(2-6-17)10-12-27-19(26)25-18-7-3-15(4-8-18)16-9-11-24-13-16/h1-8,16,24H,9-13H2,(H,25,26)
InChIKeyZIHJDICAGOGELF-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.57
Rot. Bonds5

About 2-[4-(trifluoromethyl)phenyl]ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate

2-[4-(trifluoromethyl)phenyl]ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate (PubChem CID 67240050) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
PubChem CID67240050
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name2-[4-(trifluoromethyl)phenyl]ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
SMILESO=C(Nc1ccc(C2CCNC2)cc1)OCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)17-5-1-14(2-6-17)10-12-27-19(26)25-18-7-3-15(4-8-18)16-9-11-24-13-16/h1-8,16,24H,9-13H2,(H,25,26)
InChIKeyZIHJDICAGOGELF-UHFFFAOYSA-N
XLogP4.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate (CID 67240050) is 2-[4-(trifluoromethyl)phenyl]ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate is O=C(Nc1ccc(C2CCNC2)cc1)OCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
The InChIKey is ZIHJDICAGOGELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c21-20(22,23)17-5-1-14(2-6-17)10-12-27-19(26)25-18-7-3-15(4-8-18)16-9-11-24-13-16/h1-8,16,24H,9-13H2,(H,25,26).
What are the key properties of 2-[4-(trifluoromethyl)phenyl]ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate?
2-[4-(trifluoromethyl)phenyl]ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate has a molecular weight of 378.39 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate is sourced from PubChem (CID 67240050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).