1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea

C15H14F2N2O3 — CID 108867921

IUPAC1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea
SMILESCOc1cccc(OC)c1NC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C15H14F2N2O3/c1-21-11-7-4-8-12(22-2)14(11)19-15(20)18-13-9(16)5-3-6-10(13)17/h3-8H,1-2H3,(H2,18,19,20)
InChIKeySZBDMSHJAVXTJI-UHFFFAOYSA-N
MW308.28 g/mol
LogP3.63
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea

1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea (PubChem CID 108867921) has the molecular formula C15H14F2N2O3 and a molecular weight of 308.28 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea
PubChem CID108867921
Molecular FormulaC15H14F2N2O3
Molecular Weight308.28 g/mol
Exact Mass308.10
IUPAC Name1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea
SMILESCOc1cccc(OC)c1NC(=O)Nc1c(F)cccc1F
InChIInChI=1S/C15H14F2N2O3/c1-21-11-7-4-8-12(22-2)14(11)19-15(20)18-13-9(16)5-3-6-10(13)17/h3-8H,1-2H3,(H2,18,19,20)
InChIKeySZBDMSHJAVXTJI-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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Related Compounds

1-cyclopropyl-3-(2-fluoro-6-methoxyphenyl)urea
CID 126785956
2-chloro-N-(2-fluoro-6-methoxyphenyl)acetamide
CID 166415098
1-(2,6-dimethoxyphenyl)-3-(4-methylphenyl)urea
CID 108867766
1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991420
1-tert-butyl-3-(2,6-dimethoxyphenyl)urea
CID 108867821
N-(2,6-difluorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 970586
1-(2-bromo-6-fluorophenyl)-3-(5-fluoro-2-methoxyphenyl)urea;ethane
CID 143368571
1-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)urea
CID 108992038
N-(2,6-difluorophenyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110438890
2-fluoro-6-methoxy-N-methylaniline;hydrochloride
CID 57362323
1-(2,6-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
CID 113216737
(2-fluoro-6-methoxyphenyl)hydrazine;phosphoric acid
CID 138619962

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea (CID 108867921) is 1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea is COc1cccc(OC)c1NC(=O)Nc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea?
The InChIKey is SZBDMSHJAVXTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O3/c1-21-11-7-4-8-12(22-2)14(11)19-15(20)18-13-9(16)5-3-6-10(13)17/h3-8H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea?
1-(2,6-difluorophenyl)-3-(2,6-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-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea is sourced from PubChem (CID 108867921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).