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

C16H15F3N2O2 — CID 4253047

IUPAC1-[4-(2-hydroxyethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(CCO)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O2/c17-16(18,19)12-2-1-3-14(10-12)21-15(23)20-13-6-4-11(5-7-13)8-9-22/h1-7,10,22H,8-9H2,(H2,20,21,23)
InChIKeyFBESAPKCUNLWFZ-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.88
Rot. Bonds4

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

1-[4-(2-hydroxyethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 4253047) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID4253047
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name1-[4-(2-hydroxyethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(CCO)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O2/c17-16(18,19)12-2-1-3-14(10-12)21-15(23)20-13-6-4-11(5-7-13)8-9-22/h1-7,10,22H,8-9H2,(H2,20,21,23)
InChIKeyFBESAPKCUNLWFZ-UHFFFAOYSA-N
XLogP3.88
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-(2-hydroxyethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 4253047) is 1-[4-(2-hydroxyethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-(2-hydroxyethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(CCO)cc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is FBESAPKCUNLWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c17-16(18,19)12-2-1-3-14(10-12)21-15(23)20-13-6-4-11(5-7-13)8-9-22/h1-7,10,22H,8-9H2,(H2,20,21,23).
What are the key properties of 1-[4-(2-hydroxyethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[4-(2-hydroxyethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 324.30 g/mol, XLogP of 3.88, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 4253047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).