1,1-dibutyl-3-(4-fluorophenyl)urea

C15H23FN2O — CID 4282937

IUPAC1,1-dibutyl-3-(4-fluorophenyl)urea
SMILESCCCCN(CCCC)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H23FN2O/c1-3-5-11-18(12-6-4-2)15(19)17-14-9-7-13(16)8-10-14/h7-10H,3-6,11-12H2,1-2H3,(H,17,19)
InChIKeyDMQXKZRISBXSCF-UHFFFAOYSA-N
MW266.36 g/mol
LogP4.26
Rot. Bonds7

About 1,1-dibutyl-3-(4-fluorophenyl)urea

1,1-dibutyl-3-(4-fluorophenyl)urea (PubChem CID 4282937) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1,1-dibutyl-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1,1-dibutyl-3-(4-fluorophenyl)urea
PubChem CID4282937
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1,1-dibutyl-3-(4-fluorophenyl)urea
SMILESCCCCN(CCCC)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H23FN2O/c1-3-5-11-18(12-6-4-2)15(19)17-14-9-7-13(16)8-10-14/h7-10H,3-6,11-12H2,1-2H3,(H,17,19)
InChIKeyDMQXKZRISBXSCF-UHFFFAOYSA-N
XLogP4.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dibutyl-3-(4-fluorophenyl)urea?
The IUPAC name of 1,1-dibutyl-3-(4-fluorophenyl)urea (CID 4282937) is 1,1-dibutyl-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1,1-dibutyl-3-(4-fluorophenyl)urea?
The canonical SMILES for 1,1-dibutyl-3-(4-fluorophenyl)urea is CCCCN(CCCC)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1,1-dibutyl-3-(4-fluorophenyl)urea?
The InChIKey is DMQXKZRISBXSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-5-11-18(12-6-4-2)15(19)17-14-9-7-13(16)8-10-14/h7-10H,3-6,11-12H2,1-2H3,(H,17,19).
What are the key properties of 1,1-dibutyl-3-(4-fluorophenyl)urea?
1,1-dibutyl-3-(4-fluorophenyl)urea has a molecular weight of 266.36 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutyl-3-(4-fluorophenyl)urea is sourced from PubChem (CID 4282937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).