1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea

C11H13F3N2O2 — CID 110894292

IUPAC1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NCCO)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)9-3-1-8(2-4-9)7-16-10(18)15-5-6-17/h1-4,17H,5-7H2,(H2,15,16,18)
InChIKeyCMIMEVPHLCPPKJ-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.50
Rot. Bonds4

About 1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea

1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 110894292) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
PubChem CID110894292
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
SMILESO=C(NCCO)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)9-3-1-8(2-4-9)7-16-10(18)15-5-6-17/h1-4,17H,5-7H2,(H2,15,16,18)
InChIKeyCMIMEVPHLCPPKJ-UHFFFAOYSA-N
XLogP1.50
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]urea
CID 110894145
N-[2-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]ethyl]furan-2-carboxamide
CID 134006588
ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983
1-pentan-3-yl-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 134001787
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 16757561
2,3-dihydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 143478506
1-(pyridin-3-ylmethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 36873268
3-(tert-butylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879787
3-(ethylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 55129127
1-(4-hydroxy-2-methylpentyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 111454154
N-(2-hydroxyethyl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide
CID 110487743
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea (CID 110894292) is 1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea is O=C(NCCO)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is CMIMEVPHLCPPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)9-3-1-8(2-4-9)7-16-10(18)15-5-6-17/h1-4,17H,5-7H2,(H2,15,16,18).
What are the key properties of 1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea?
1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 262.23 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 110894292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).