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

C16H16F2N2O2 — CID 47081484

IUPAC1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccccc1F)NCC(O)c1cccc(F)c1
InChIInChI=1S/C16H16F2N2O2/c17-13-6-3-5-11(8-13)15(21)10-20-16(22)19-9-12-4-1-2-7-14(12)18/h1-8,15,21H,9-10H2,(H2,19,20,22)
InChIKeyNBANBZOXILYZKW-UHFFFAOYSA-N
MW306.31 g/mol
LogP2.50
Rot. Bonds5

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

1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea (PubChem CID 47081484) has the molecular formula C16H16F2N2O2 and a molecular weight of 306.31 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea
PubChem CID47081484
Molecular FormulaC16H16F2N2O2
Molecular Weight306.31 g/mol
Exact Mass306.12
IUPAC Name1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccccc1F)NCC(O)c1cccc(F)c1
InChIInChI=1S/C16H16F2N2O2/c17-13-6-3-5-11(8-13)15(21)10-20-16(22)19-9-12-4-1-2-7-14(12)18/h1-8,15,21H,9-10H2,(H2,19,20,22)
InChIKeyNBANBZOXILYZKW-UHFFFAOYSA-N
XLogP2.50
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea?
The IUPAC name of 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea (CID 47081484) is 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea is O=C(NCc1ccccc1F)NCC(O)c1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea?
The InChIKey is NBANBZOXILYZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2/c17-13-6-3-5-11(8-13)15(21)10-20-16(22)19-9-12-4-1-2-7-14(12)18/h1-8,15,21H,9-10H2,(H2,19,20,22).
What are the key properties of 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea?
1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea has a molecular weight of 306.31 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea is sourced from PubChem (CID 47081484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).