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

C13H15F3N2O2 — CID 115633231

IUPAC1-(2-hydroxyethyl)-1-prop-2-enyl-3-[4-(trifluoromethyl)phenyl]urea
SMILESC=CCN(CCO)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2O2/c1-2-7-18(8-9-19)12(20)17-11-5-3-10(4-6-11)13(14,15)16/h2-6,19H,1,7-9H2,(H,17,20)
InChIKeyQBWLSAZMUMIHGX-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.72
Rot. Bonds5

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

1-(2-hydroxyethyl)-1-prop-2-enyl-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 115633231) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-prop-2-enyl-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-prop-2-enyl-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID115633231
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name1-(2-hydroxyethyl)-1-prop-2-enyl-3-[4-(trifluoromethyl)phenyl]urea
SMILESC=CCN(CCO)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2O2/c1-2-7-18(8-9-19)12(20)17-11-5-3-10(4-6-11)13(14,15)16/h2-6,19H,1,7-9H2,(H,17,20)
InChIKeyQBWLSAZMUMIHGX-UHFFFAOYSA-N
XLogP2.72
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxyethyl)-3-phenyl-1-prop-2-enylurea
CID 111423629
3-(3-bromo-4-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111475913
3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423625
3-[4-(cyclopentyloxymethyl)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111443397
1-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-prop-2-enyl-3-[4-(trifluoromethyl)phenyl]urea
CID 3348537
3-[4-[[4-[bis(prop-2-enyl)carbamoylamino]phenyl]methyl]phenyl]-1,1-bis(prop-2-enyl)urea
CID 4614522
4-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209575
1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 138456849
N-(4-tert-butylphenyl)-N',N'-bis(prop-2-enyl)oxamide
CID 108516808
1-(2-hydroxyethyl)-3-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-1-prop-2-enylurea
CID 111840807
4-(carbamoylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 115776053
1-ethenyl-3-[4-(trifluoromethyl)phenyl]urea
CID 108909328

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-prop-2-enyl-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-hydroxyethyl)-1-prop-2-enyl-3-[4-(trifluoromethyl)phenyl]urea (CID 115633231) is 1-(2-hydroxyethyl)-1-prop-2-enyl-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-prop-2-enyl-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-prop-2-enyl-3-[4-(trifluoromethyl)phenyl]urea is C=CCN(CCO)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(2-hydroxyethyl)-1-prop-2-enyl-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is QBWLSAZMUMIHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-2-7-18(8-9-19)12(20)17-11-5-3-10(4-6-11)13(14,15)16/h2-6,19H,1,7-9H2,(H,17,20).
What are the key properties of 1-(2-hydroxyethyl)-1-prop-2-enyl-3-[4-(trifluoromethyl)phenyl]urea?
1-(2-hydroxyethyl)-1-prop-2-enyl-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 288.27 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-prop-2-enyl-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 115633231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).