1-(2,6-diethylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea

C19H21F3N2O2 — CID 3818160

IUPAC1-(2,6-diethylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
SMILESCCc1cccc(CC)c1NC(=O)NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O2/c1-3-14-8-6-9-15(4-2)17(14)24-18(25)23-12-13-7-5-10-16(11-13)26-19(20,21)22/h5-11H,3-4,12H2,1-2H3,(H2,23,24,25)
InChIKeyIVZNGTXVOSFBMC-UHFFFAOYSA-N
MW366.38 g/mol
LogP5.03
Rot. Bonds6

About 1-(2,6-diethylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea

1-(2,6-diethylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea (PubChem CID 3818160) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
PubChem CID3818160
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC Name1-(2,6-diethylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
SMILESCCc1cccc(CC)c1NC(=O)NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O2/c1-3-14-8-6-9-15(4-2)17(14)24-18(25)23-12-13-7-5-10-16(11-13)26-19(20,21)22/h5-11H,3-4,12H2,1-2H3,(H2,23,24,25)
InChIKeyIVZNGTXVOSFBMC-UHFFFAOYSA-N
XLogP5.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.38
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 71250825
1-(2-methyl-6-propan-2-ylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 3867265
1-(3-chloro-4-methylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 3865446
1-(3-methyl-1-bicyclo[1.1.1]pentanyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 169150569
2-ethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 107104393
N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide
CID 118576354
1-(3-fluorobut-3-enyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 169150586
1-[[3-(trifluoromethoxy)phenyl]methyl]-3-[3-(trifluoromethyl)but-3-enyl]urea
CID 169150598
2-(1-methylpyrrol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
CID 29182663
1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea
CID 58817774
N-[4-[[3-(trifluoromethoxy)phenyl]methylamino]phenyl]acetamide
CID 73253844
N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 68701338

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea?
The IUPAC name of 1-(2,6-diethylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea (CID 3818160) is 1-(2,6-diethylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-(2,6-diethylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-(2,6-diethylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea is CCc1cccc(CC)c1NC(=O)NCc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 1-(2,6-diethylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea?
The InChIKey is IVZNGTXVOSFBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-3-14-8-6-9-15(4-2)17(14)24-18(25)23-12-13-7-5-10-16(11-13)26-19(20,21)22/h5-11H,3-4,12H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-(2,6-diethylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea?
1-(2,6-diethylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea has a molecular weight of 366.38 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea is sourced from PubChem (CID 3818160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).