2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-propylcarbamate

C20H22F3NO2 — CID 70465577

IUPAC2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-propylcarbamate
SMILESCCCNC(=O)OCCc1ccc(Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H22F3NO2/c1-2-11-24-19(25)26-12-10-15-6-8-16(9-7-15)13-17-4-3-5-18(14-17)20(21,22)23/h3-9,14H,2,10-13H2,1H3,(H,24,25)
InChIKeyQCLVQCFYJOFOCQ-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.97
Rot. Bonds7

About 2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-propylcarbamate

2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-propylcarbamate (PubChem CID 70465577) has the molecular formula C20H22F3NO2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-propylcarbamate.

Molecular Properties

Compound Name2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-propylcarbamate
PubChem CID70465577
Molecular FormulaC20H22F3NO2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-propylcarbamate
SMILESCCCNC(=O)OCCc1ccc(Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H22F3NO2/c1-2-11-24-19(25)26-12-10-15-6-8-16(9-7-15)13-17-4-3-5-18(14-17)20(21,22)23/h3-9,14H,2,10-13H2,1H3,(H,24,25)
InChIKeyQCLVQCFYJOFOCQ-UHFFFAOYSA-N
XLogP4.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-methylcarbamate
CID 70467171
2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-(3,4-dichlorophenyl)carbamate
CID 70465486
(2R)-N-propyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]propanamide
CID 95330378
N-propyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetamide
CID 78786742
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
2-(2-aminoethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 79463391
[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate
CID 50929609
diethyl 2-[[3-(trifluoromethyl)phenyl]methyl]propanedioate
CID 53401794
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
1-[3-(2-phenylethoxy)propyl]-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 60543843
ethyl 3-oxo-4-[3-(trifluoromethyl)phenyl]butanoate
CID 45156320
N-[2-(4-sulfamoylphenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 3640741

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-propylcarbamate?
The IUPAC name of 2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-propylcarbamate (CID 70465577) is 2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-propylcarbamate.
What is the SMILES notation for 2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-propylcarbamate?
The canonical SMILES for 2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-propylcarbamate is CCCNC(=O)OCCc1ccc(Cc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-propylcarbamate?
The InChIKey is QCLVQCFYJOFOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO2/c1-2-11-24-19(25)26-12-10-15-6-8-16(9-7-15)13-17-4-3-5-18(14-17)20(21,22)23/h3-9,14H,2,10-13H2,1H3,(H,24,25).
What are the key properties of 2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-propylcarbamate?
2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-propylcarbamate has a molecular weight of 365.40 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-propylcarbamate is sourced from PubChem (CID 70465577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).