1-(3,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)urea

C15H14F2N2O3 — CID 6465965

IUPAC1-(3,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(F)c(F)c2)c(OC)c1
InChIInChI=1S/C15H14F2N2O3/c1-21-10-4-6-13(14(8-10)22-2)19-15(20)18-9-3-5-11(16)12(17)7-9/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyPEILDZJJCXWFJT-UHFFFAOYSA-N
MW308.28 g/mol
LogP3.63
Rot. Bonds4

About 1-(3,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)urea

1-(3,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)urea (PubChem CID 6465965) has the molecular formula C15H14F2N2O3 and a molecular weight of 308.28 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)urea
PubChem CID6465965
Molecular FormulaC15H14F2N2O3
Molecular Weight308.28 g/mol
Exact Mass308.10
IUPAC Name1-(3,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(F)c(F)c2)c(OC)c1
InChIInChI=1S/C15H14F2N2O3/c1-21-10-4-6-13(14(8-10)22-2)19-15(20)18-9-3-5-11(16)12(17)7-9/h3-8H,1-2H3,(H2,18,19,20)
InChIKeyPEILDZJJCXWFJT-UHFFFAOYSA-N
XLogP3.63
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)urea (CID 6465965) is 1-(3,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc(F)c(F)c2)c(OC)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)urea?
The InChIKey is PEILDZJJCXWFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O3/c1-21-10-4-6-13(14(8-10)22-2)19-15(20)18-9-3-5-11(16)12(17)7-9/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(3,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)urea?
1-(3,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)urea has a molecular weight of 308.28 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-(2,4-dimethoxyphenyl)urea is sourced from PubChem (CID 6465965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).