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

C13H17F3N2O2 — CID 51102226

IUPAC1-ethyl-1-(2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCCN(CC(C)O)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2/c1-3-18(8-9(2)19)12(20)17-11-6-4-10(5-7-11)13(14,15)16/h4-7,9,19H,3,8H2,1-2H3,(H,17,20)
InChIKeyGBUHOMROUCKYCV-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.94
Rot. Bonds4

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

1-ethyl-1-(2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 51102226) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 1-ethyl-1-(2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-ethyl-1-(2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID51102226
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name1-ethyl-1-(2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESCCN(CC(C)O)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2/c1-3-18(8-9(2)19)12(20)17-11-6-4-10(5-7-11)13(14,15)16/h4-7,9,19H,3,8H2,1-2H3,(H,17,20)
InChIKeyGBUHOMROUCKYCV-UHFFFAOYSA-N
XLogP2.94
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxypropyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
CID 62333331
1-ethyl-1-(2-hydroxypropyl)-3-pyridin-4-ylurea
CID 47079451
3-(4-chlorophenyl)-1-ethyl-1-[(2R)-2-hydroxypropyl]urea
CID 94777007
1-(1-cyanopropan-2-yl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
CID 63224865
3-[ethyl-[(4-fluorophenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62828090
1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 69028477
2-[methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetic acid
CID 43318418
(2R)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685800
2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 51108589
(2S)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685798
2-[4-[[2-(dimethylamino)ethyl-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]amino]phenyl]-N-methylacetamide
CID 86846972
2-(dimethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 17496516

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-ethyl-1-(2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea (CID 51102226) is 1-ethyl-1-(2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-ethyl-1-(2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-ethyl-1-(2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea is CCN(CC(C)O)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-ethyl-1-(2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is GBUHOMROUCKYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-3-18(8-9(2)19)12(20)17-11-6-4-10(5-7-11)13(14,15)16/h4-7,9,19H,3,8H2,1-2H3,(H,17,20).
What are the key properties of 1-ethyl-1-(2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea?
1-ethyl-1-(2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 290.28 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-hydroxypropyl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 51102226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).