1-(2,6-dichlorophenyl)-1-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]urea

C19H14Cl2FN3O — CID 21354041

IUPAC1-(2,6-dichlorophenyl)-1-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]urea
SMILESCc1cc(F)ccc1-c1cccc(N(C(N)=O)c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C19H14Cl2FN3O/c1-11-10-12(22)8-9-13(11)16-6-3-7-17(24-16)25(19(23)26)18-14(20)4-2-5-15(18)21/h2-10H,1H3,(H2,23,26)
InChIKeyNJJLFEUPEVJSLN-UHFFFAOYSA-N
MW390.25 g/mol
LogP5.72
Rot. Bonds3

About 1-(2,6-dichlorophenyl)-1-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]urea

1-(2,6-dichlorophenyl)-1-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]urea (PubChem CID 21354041) has the molecular formula C19H14Cl2FN3O and a molecular weight of 390.25 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-1-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-1-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]urea
PubChem CID21354041
Molecular FormulaC19H14Cl2FN3O
Molecular Weight390.25 g/mol
Exact Mass389.05
IUPAC Name1-(2,6-dichlorophenyl)-1-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]urea
SMILESCc1cc(F)ccc1-c1cccc(N(C(N)=O)c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C19H14Cl2FN3O/c1-11-10-12(22)8-9-13(11)16-6-3-7-17(24-16)25(19(23)26)18-14(20)4-2-5-15(18)21/h2-10H,1H3,(H2,23,26)
InChIKeyNJJLFEUPEVJSLN-UHFFFAOYSA-N
XLogP5.72
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.25
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-1-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]urea?
The IUPAC name of 1-(2,6-dichlorophenyl)-1-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]urea (CID 21354041) is 1-(2,6-dichlorophenyl)-1-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]urea.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-1-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]urea?
The canonical SMILES for 1-(2,6-dichlorophenyl)-1-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]urea is Cc1cc(F)ccc1-c1cccc(N(C(N)=O)c2c(Cl)cccc2Cl)n1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-1-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]urea?
The InChIKey is NJJLFEUPEVJSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2FN3O/c1-11-10-12(22)8-9-13(11)16-6-3-7-17(24-16)25(19(23)26)18-14(20)4-2-5-15(18)21/h2-10H,1H3,(H2,23,26).
What are the key properties of 1-(2,6-dichlorophenyl)-1-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]urea?
1-(2,6-dichlorophenyl)-1-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]urea has a molecular weight of 390.25 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-1-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]urea is sourced from PubChem (CID 21354041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).