1-(2-methyl-6-propan-2-ylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea

C19H21F3N2O2 — CID 3867265

IUPAC1-(2-methyl-6-propan-2-ylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
SMILESCc1cccc(C(C)C)c1NC(=O)NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O2/c1-12(2)16-9-4-6-13(3)17(16)24-18(25)23-11-14-7-5-8-15(10-14)26-19(20,21)22/h4-10,12H,11H2,1-3H3,(H2,23,24,25)
InChIKeyCWPOWPPOQCWLKJ-UHFFFAOYSA-N
MW366.38 g/mol
LogP5.34
Rot. Bonds5

About 1-(2-methyl-6-propan-2-ylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea

1-(2-methyl-6-propan-2-ylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea (PubChem CID 3867265) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 1-(2-methyl-6-propan-2-ylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2-methyl-6-propan-2-ylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
PubChem CID3867265
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC Name1-(2-methyl-6-propan-2-ylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
SMILESCc1cccc(C(C)C)c1NC(=O)NCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H21F3N2O2/c1-12(2)16-9-4-6-13(3)17(16)24-18(25)23-11-14-7-5-8-15(10-14)26-19(20,21)22/h4-10,12H,11H2,1-3H3,(H2,23,24,25)
InChIKeyCWPOWPPOQCWLKJ-UHFFFAOYSA-N
XLogP5.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.38
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-6-propan-2-ylphenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817685
1-(2,6-diethylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 3818160
1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 71250825
1-(3-chloro-4-methylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 3865446
1-(2-methyl-6-propan-2-ylphenyl)-3-(phenoxymethyl)urea
CID 108888749
1-[2,6-di(propan-2-yl)phenyl]-3-[(3-iodophenyl)methyl]urea
CID 3677795
1-[(3-chloro-4-methylphenyl)methyl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 3821078
1-(3-methyl-1-bicyclo[1.1.1]pentanyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 169150569
1-(2,2-dimethoxyethyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 3743280
1-(3-fluorobut-3-enyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 169150586
1-(2-methyl-6-propan-2-ylphenyl)-3-(3-phenylpropyl)urea
CID 108990495
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 75876666

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-propan-2-ylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea?
The IUPAC name of 1-(2-methyl-6-propan-2-ylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea (CID 3867265) is 1-(2-methyl-6-propan-2-ylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-(2-methyl-6-propan-2-ylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-(2-methyl-6-propan-2-ylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea is Cc1cccc(C(C)C)c1NC(=O)NCc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 1-(2-methyl-6-propan-2-ylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea?
The InChIKey is CWPOWPPOQCWLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-12(2)16-9-4-6-13(3)17(16)24-18(25)23-11-14-7-5-8-15(10-14)26-19(20,21)22/h4-10,12H,11H2,1-3H3,(H2,23,24,25).
What are the key properties of 1-(2-methyl-6-propan-2-ylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea?
1-(2-methyl-6-propan-2-ylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea has a molecular weight of 366.38 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-propan-2-ylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea is sourced from PubChem (CID 3867265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).