1-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylurea

C12H17FN2O — CID 23548570

IUPAC1-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCc1ccccc1F
InChIInChI=1S/C12H17FN2O/c1-9(2)15-12(16)14-8-7-10-5-3-4-6-11(10)13/h3-6,9H,7-8H2,1-2H3,(H2,14,15,16)
InChIKeyTXXWIXICOYMQEQ-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.08
Rot. Bonds4

About 1-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylurea

1-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylurea (PubChem CID 23548570) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylurea
PubChem CID23548570
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name1-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCc1ccccc1F
InChIInChI=1S/C12H17FN2O/c1-9(2)15-12(16)14-8-7-10-5-3-4-6-11(10)13/h3-6,9H,7-8H2,1-2H3,(H2,14,15,16)
InChIKeyTXXWIXICOYMQEQ-UHFFFAOYSA-N
XLogP2.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylurea (CID 23548570) is 1-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylurea is CC(C)NC(=O)NCCc1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylurea?
The InChIKey is TXXWIXICOYMQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-9(2)15-12(16)14-8-7-10-5-3-4-6-11(10)13/h3-6,9H,7-8H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylurea?
1-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylurea has a molecular weight of 224.28 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 23548570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).