1-[3-(1-hydroxyethyl)phenyl]-3-[1-(trifluoromethyl)cyclopropyl]urea

C13H15F3N2O2 — CID 106217887

IUPAC1-[3-(1-hydroxyethyl)phenyl]-3-[1-(trifluoromethyl)cyclopropyl]urea
SMILESCC(O)c1cccc(NC(=O)NC2(C(F)(F)F)CC2)c1
InChIInChI=1S/C13H15F3N2O2/c1-8(19)9-3-2-4-10(7-9)17-11(20)18-12(5-6-12)13(14,15)16/h2-4,7-8,19H,5-6H2,1H3,(H2,17,18,20)
InChIKeyHRDANALDNQQKBU-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.96
Rot. Bonds3

About 1-[3-(1-hydroxyethyl)phenyl]-3-[1-(trifluoromethyl)cyclopropyl]urea

1-[3-(1-hydroxyethyl)phenyl]-3-[1-(trifluoromethyl)cyclopropyl]urea (PubChem CID 106217887) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 1-[3-(1-hydroxyethyl)phenyl]-3-[1-(trifluoromethyl)cyclopropyl]urea.

Molecular Properties

Compound Name1-[3-(1-hydroxyethyl)phenyl]-3-[1-(trifluoromethyl)cyclopropyl]urea
PubChem CID106217887
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name1-[3-(1-hydroxyethyl)phenyl]-3-[1-(trifluoromethyl)cyclopropyl]urea
SMILESCC(O)c1cccc(NC(=O)NC2(C(F)(F)F)CC2)c1
InChIInChI=1S/C13H15F3N2O2/c1-8(19)9-3-2-4-10(7-9)17-11(20)18-12(5-6-12)13(14,15)16/h2-4,7-8,19H,5-6H2,1H3,(H2,17,18,20)
InChIKeyHRDANALDNQQKBU-UHFFFAOYSA-N
XLogP2.96
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 43508550
1-(3-cyanophenyl)-3-[1-(trifluoromethyl)cyclobutyl]urea
CID 127265839
N-[3-[(1S)-1-hydroxyethyl]phenyl]-2,2-dimethylpropanamide
CID 93090529
3-(1-hydroxyethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106217621
1-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61196688
N-[3-(1-hydroxyethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002185
1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 61346080
1-[3-(1-hydroxyethyl)phenyl]-3-(2-methyloxolan-3-yl)urea
CID 82737312
1-[3-(1-hydroxyethyl)phenyl]-3-(3-methylpentan-2-yl)urea
CID 61466439
1-(3-ethylpentan-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 63836496
1-[3-(1-hydroxyethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea
CID 61346275
1-(2-fluoro-4-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61346672

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]-3-[1-(trifluoromethyl)cyclopropyl]urea?
The IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]-3-[1-(trifluoromethyl)cyclopropyl]urea (CID 106217887) is 1-[3-(1-hydroxyethyl)phenyl]-3-[1-(trifluoromethyl)cyclopropyl]urea.
What is the SMILES notation for 1-[3-(1-hydroxyethyl)phenyl]-3-[1-(trifluoromethyl)cyclopropyl]urea?
The canonical SMILES for 1-[3-(1-hydroxyethyl)phenyl]-3-[1-(trifluoromethyl)cyclopropyl]urea is CC(O)c1cccc(NC(=O)NC2(C(F)(F)F)CC2)c1.
What is the InChIKey of 1-[3-(1-hydroxyethyl)phenyl]-3-[1-(trifluoromethyl)cyclopropyl]urea?
The InChIKey is HRDANALDNQQKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-8(19)9-3-2-4-10(7-9)17-11(20)18-12(5-6-12)13(14,15)16/h2-4,7-8,19H,5-6H2,1H3,(H2,17,18,20).
What are the key properties of 1-[3-(1-hydroxyethyl)phenyl]-3-[1-(trifluoromethyl)cyclopropyl]urea?
1-[3-(1-hydroxyethyl)phenyl]-3-[1-(trifluoromethyl)cyclopropyl]urea has a molecular weight of 288.27 g/mol, XLogP of 2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxyethyl)phenyl]-3-[1-(trifluoromethyl)cyclopropyl]urea is sourced from PubChem (CID 106217887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).