1-benzyl-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea

C16H17FN2O2 — CID 51094198

IUPAC1-benzyl-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea
SMILESO=C(NCc1ccccc1)NCC(O)c1cccc(F)c1
InChIInChI=1S/C16H17FN2O2/c17-14-8-4-7-13(9-14)15(20)11-19-16(21)18-10-12-5-2-1-3-6-12/h1-9,15,20H,10-11H2,(H2,18,19,21)
InChIKeyUCNWACXYIVONSP-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.36
Rot. Bonds5

About 1-benzyl-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea

1-benzyl-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea (PubChem CID 51094198) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-benzyl-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea
PubChem CID51094198
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name1-benzyl-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea
SMILESO=C(NCc1ccccc1)NCC(O)c1cccc(F)c1
InChIInChI=1S/C16H17FN2O2/c17-14-8-4-7-13(9-14)15(20)11-19-16(21)18-10-12-5-2-1-3-6-12/h1-9,15,20H,10-11H2,(H2,18,19,21)
InChIKeyUCNWACXYIVONSP-UHFFFAOYSA-N
XLogP2.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea?
The IUPAC name of 1-benzyl-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea (CID 51094198) is 1-benzyl-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-benzyl-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-benzyl-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea is O=C(NCc1ccccc1)NCC(O)c1cccc(F)c1.
What is the InChIKey of 1-benzyl-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea?
The InChIKey is UCNWACXYIVONSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-14-8-4-7-13(9-14)15(20)11-19-16(21)18-10-12-5-2-1-3-6-12/h1-9,15,20H,10-11H2,(H2,18,19,21).
What are the key properties of 1-benzyl-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea?
1-benzyl-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea has a molecular weight of 288.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea is sourced from PubChem (CID 51094198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).