1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea

C11H15FN2O — CID 727758

IUPAC1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea
SMILESCC[C@@H](C)NC(=O)Nc1ccccc1F
InChIInChI=1S/C11H15FN2O/c1-3-8(2)13-11(15)14-10-7-5-4-6-9(10)12/h4-8H,3H2,1-2H3,(H2,13,14,15)/t8-/m1/s1
InChIKeyHIINMZWFGXOQJA-MRVPVSSYSA-N
MW210.25 g/mol
LogP2.75
Rot. Bonds3

About 1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea

1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea (PubChem CID 727758) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea
PubChem CID727758
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea
SMILESCC[C@@H](C)NC(=O)Nc1ccccc1F
InChIInChI=1S/C11H15FN2O/c1-3-8(2)13-11(15)14-10-7-5-4-6-9(10)12/h4-8H,3H2,1-2H3,(H2,13,14,15)/t8-/m1/s1
InChIKeyHIINMZWFGXOQJA-MRVPVSSYSA-N
XLogP2.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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1-N'-butan-2-yl-1-N-(2-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108971473
3-N-butan-2-yl-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
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1-butan-2-yl-3-(2-methoxyphenyl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea (CID 727758) is 1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea is CC[C@@H](C)NC(=O)Nc1ccccc1F.
What is the InChIKey of 1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea?
The InChIKey is HIINMZWFGXOQJA-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-3-8(2)13-11(15)14-10-7-5-4-6-9(10)12/h4-8H,3H2,1-2H3,(H2,13,14,15)/t8-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea?
1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea has a molecular weight of 210.25 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 727758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).