1-(2,6-dimethylphenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]urea

C20H18FN3O — CID 21354048

IUPAC1-(2,6-dimethylphenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]urea
SMILESCc1cccc(C)c1N(C(N)=O)c1cccc(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H18FN3O/c1-13-5-3-6-14(2)19(13)24(20(22)25)18-8-4-7-17(23-18)15-9-11-16(21)12-10-15/h3-12H,1-2H3,(H2,22,25)
InChIKeyGVUOHQUZFBUDRX-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.72
Rot. Bonds3

About 1-(2,6-dimethylphenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]urea

1-(2,6-dimethylphenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]urea (PubChem CID 21354048) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]urea
PubChem CID21354048
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name1-(2,6-dimethylphenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]urea
SMILESCc1cccc(C)c1N(C(N)=O)c1cccc(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H18FN3O/c1-13-5-3-6-14(2)19(13)24(20(22)25)18-8-4-7-17(23-18)15-9-11-16(21)12-10-15/h3-12H,1-2H3,(H2,22,25)
InChIKeyGVUOHQUZFBUDRX-UHFFFAOYSA-N
XLogP4.72
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]urea?
The IUPAC name of 1-(2,6-dimethylphenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]urea (CID 21354048) is 1-(2,6-dimethylphenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]urea.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]urea?
The canonical SMILES for 1-(2,6-dimethylphenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]urea is Cc1cccc(C)c1N(C(N)=O)c1cccc(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]urea?
The InChIKey is GVUOHQUZFBUDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-13-5-3-6-14(2)19(13)24(20(22)25)18-8-4-7-17(23-18)15-9-11-16(21)12-10-15/h3-12H,1-2H3,(H2,22,25).
What are the key properties of 1-(2,6-dimethylphenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]urea?
1-(2,6-dimethylphenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]urea has a molecular weight of 335.38 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-1-[6-(4-fluorophenyl)-2-pyridinyl]urea is sourced from PubChem (CID 21354048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).