3-(2-fluorophenyl)-1,1-bis(2-methylpropyl)urea

C15H23FN2O — CID 2242068

IUPAC3-(2-fluorophenyl)-1,1-bis(2-methylpropyl)urea
SMILESCC(C)CN(CC(C)C)C(=O)Nc1ccccc1F
InChIInChI=1S/C15H23FN2O/c1-11(2)9-18(10-12(3)4)15(19)17-14-8-6-5-7-13(14)16/h5-8,11-12H,9-10H2,1-4H3,(H,17,19)
InChIKeyCVEMZNWFQHFLMM-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.97
Rot. Bonds5

About 3-(2-fluorophenyl)-1,1-bis(2-methylpropyl)urea

3-(2-fluorophenyl)-1,1-bis(2-methylpropyl)urea (PubChem CID 2242068) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1,1-bis(2-methylpropyl)urea.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1,1-bis(2-methylpropyl)urea
PubChem CID2242068
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name3-(2-fluorophenyl)-1,1-bis(2-methylpropyl)urea
SMILESCC(C)CN(CC(C)C)C(=O)Nc1ccccc1F
InChIInChI=1S/C15H23FN2O/c1-11(2)9-18(10-12(3)4)15(19)17-14-8-6-5-7-13(14)16/h5-8,11-12H,9-10H2,1-4H3,(H,17,19)
InChIKeyCVEMZNWFQHFLMM-UHFFFAOYSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1,1-bis(2-methylpropyl)urea?
The IUPAC name of 3-(2-fluorophenyl)-1,1-bis(2-methylpropyl)urea (CID 2242068) is 3-(2-fluorophenyl)-1,1-bis(2-methylpropyl)urea.
What is the SMILES notation for 3-(2-fluorophenyl)-1,1-bis(2-methylpropyl)urea?
The canonical SMILES for 3-(2-fluorophenyl)-1,1-bis(2-methylpropyl)urea is CC(C)CN(CC(C)C)C(=O)Nc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-1,1-bis(2-methylpropyl)urea?
The InChIKey is CVEMZNWFQHFLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11(2)9-18(10-12(3)4)15(19)17-14-8-6-5-7-13(14)16/h5-8,11-12H,9-10H2,1-4H3,(H,17,19).
What are the key properties of 3-(2-fluorophenyl)-1,1-bis(2-methylpropyl)urea?
3-(2-fluorophenyl)-1,1-bis(2-methylpropyl)urea has a molecular weight of 266.36 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1,1-bis(2-methylpropyl)urea is sourced from PubChem (CID 2242068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).