1-[1-(2-propan-2-ylphenoxy)ethyl]-3-[4-(trifluoromethyl)phenyl]urea

C19H21F3N2O2 — CID 108878902

IUPAC1-[1-(2-propan-2-ylphenoxy)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(NC(=O)Nc1ccc(C(F)(F)F)cc1)Oc1ccccc1C(C)C
InChIInChI=1S/C19H21F3N2O2/c1-12(2)16-6-4-5-7-17(16)26-13(3)23-18(25)24-15-10-8-14(9-11-15)19(20,21)22/h4-13H,1-3H3,(H2,23,24,25)
InChIKeyNFQXEMUFIWBVOF-UHFFFAOYSA-N
MW366.38 g/mol
LogP5.38
Rot. Bonds5

About 1-[1-(2-propan-2-ylphenoxy)ethyl]-3-[4-(trifluoromethyl)phenyl]urea

1-[1-(2-propan-2-ylphenoxy)ethyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 108878902) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 1-[1-(2-propan-2-ylphenoxy)ethyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(2-propan-2-ylphenoxy)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID108878902
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC Name1-[1-(2-propan-2-ylphenoxy)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(NC(=O)Nc1ccc(C(F)(F)F)cc1)Oc1ccccc1C(C)C
InChIInChI=1S/C19H21F3N2O2/c1-12(2)16-6-4-5-7-17(16)26-13(3)23-18(25)24-15-10-8-14(9-11-15)19(20,21)22/h4-13H,1-3H3,(H2,23,24,25)
InChIKeyNFQXEMUFIWBVOF-UHFFFAOYSA-N
XLogP5.38
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 ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-phenylethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 52592652
1-[1-(2-propan-2-ylphenoxy)ethyl]-3-prop-2-enylurea
CID 108878787
(2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26005525
1-(4-iodo-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878706
1-(4-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000604
1-[(4-fluorophenyl)methyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878836
1-[(2S)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 51983515
1-benzhydryl-3-[4-(trifluoromethyl)phenyl]urea
CID 108867584
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887195
1-(3-oxopentan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 64994242
(2R)-2-(2-propan-2-ylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
CID 92683487
1-[(4-bromophenyl)methyl]-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878923

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-propan-2-ylphenoxy)ethyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[1-(2-propan-2-ylphenoxy)ethyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 108878902) is 1-[1-(2-propan-2-ylphenoxy)ethyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[1-(2-propan-2-ylphenoxy)ethyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[1-(2-propan-2-ylphenoxy)ethyl]-3-[4-(trifluoromethyl)phenyl]urea is CC(NC(=O)Nc1ccc(C(F)(F)F)cc1)Oc1ccccc1C(C)C.
What is the InChIKey of 1-[1-(2-propan-2-ylphenoxy)ethyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is NFQXEMUFIWBVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-12(2)16-6-4-5-7-17(16)26-13(3)23-18(25)24-15-10-8-14(9-11-15)19(20,21)22/h4-13H,1-3H3,(H2,23,24,25).
What are the key properties of 1-[1-(2-propan-2-ylphenoxy)ethyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[1-(2-propan-2-ylphenoxy)ethyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 366.38 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-propan-2-ylphenoxy)ethyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 108878902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).