1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea

C17H18F2N2O2 — CID 71925066

IUPAC1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
SMILESO=C(NCCc1cc(F)ccc1F)NC(CO)c1ccccc1
InChIInChI=1S/C17H18F2N2O2/c18-14-6-7-15(19)13(10-14)8-9-20-17(23)21-16(11-22)12-4-2-1-3-5-12/h1-7,10,16,22H,8-9,11H2,(H2,20,21,23)
InChIKeyDPIXHJMRKMATQF-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.54
Rot. Bonds6

About 1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea

1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea (PubChem CID 71925066) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea.

Molecular Properties

Compound Name1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
PubChem CID71925066
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
SMILESO=C(NCCc1cc(F)ccc1F)NC(CO)c1ccccc1
InChIInChI=1S/C17H18F2N2O2/c18-14-6-7-15(19)13(10-14)8-9-20-17(23)21-16(11-22)12-4-2-1-3-5-12/h1-7,10,16,22H,8-9,11H2,(H2,20,21,23)
InChIKeyDPIXHJMRKMATQF-UHFFFAOYSA-N
XLogP2.54
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea?
The IUPAC name of 1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea (CID 71925066) is 1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea.
What is the SMILES notation for 1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea?
The canonical SMILES for 1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea is O=C(NCCc1cc(F)ccc1F)NC(CO)c1ccccc1.
What is the InChIKey of 1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea?
The InChIKey is DPIXHJMRKMATQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c18-14-6-7-15(19)13(10-14)8-9-20-17(23)21-16(11-22)12-4-2-1-3-5-12/h1-7,10,16,22H,8-9,11H2,(H2,20,21,23).
What are the key properties of 1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea?
1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea has a molecular weight of 320.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea is sourced from PubChem (CID 71925066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).