1-(2-chloro-6-fluorophenyl)-3-(3,5-dimethylphenyl)urea

C15H14ClFN2O — CID 108896606

IUPAC1-(2-chloro-6-fluorophenyl)-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)Nc2c(F)cccc2Cl)c1
InChIInChI=1S/C15H14ClFN2O/c1-9-6-10(2)8-11(7-9)18-15(20)19-14-12(16)4-3-5-13(14)17/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyQVAZMKZQAPUKIJ-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.74
Rot. Bonds2

About 1-(2-chloro-6-fluorophenyl)-3-(3,5-dimethylphenyl)urea

1-(2-chloro-6-fluorophenyl)-3-(3,5-dimethylphenyl)urea (PubChem CID 108896606) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-(3,5-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-(3,5-dimethylphenyl)urea
PubChem CID108896606
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)Nc2c(F)cccc2Cl)c1
InChIInChI=1S/C15H14ClFN2O/c1-9-6-10(2)8-11(7-9)18-15(20)19-14-12(16)4-3-5-13(14)17/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyQVAZMKZQAPUKIJ-UHFFFAOYSA-N
XLogP4.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(3,5-dimethylphenyl)urea?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(3,5-dimethylphenyl)urea (CID 108896606) is 1-(2-chloro-6-fluorophenyl)-3-(3,5-dimethylphenyl)urea.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-(3,5-dimethylphenyl)urea?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-(3,5-dimethylphenyl)urea is Cc1cc(C)cc(NC(=O)Nc2c(F)cccc2Cl)c1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-(3,5-dimethylphenyl)urea?
The InChIKey is QVAZMKZQAPUKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-9-6-10(2)8-11(7-9)18-15(20)19-14-12(16)4-3-5-13(14)17/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-(3,5-dimethylphenyl)urea?
1-(2-chloro-6-fluorophenyl)-3-(3,5-dimethylphenyl)urea has a molecular weight of 292.74 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-(3,5-dimethylphenyl)urea is sourced from PubChem (CID 108896606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).