1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea

C16H16F2N2O4 — CID 46859657

IUPAC1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(F)cc2F)cc(OC)c1OC
InChIInChI=1S/C16H16F2N2O4/c1-22-13-7-10(8-14(23-2)15(13)24-3)19-16(21)20-12-5-4-9(17)6-11(12)18/h4-8H,1-3H3,(H2,19,20,21)
InChIKeyASPMELKOVRWUER-UHFFFAOYSA-N
MW338.31 g/mol
LogP3.63
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea

1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 46859657) has the molecular formula C16H16F2N2O4 and a molecular weight of 338.31 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID46859657
Molecular FormulaC16H16F2N2O4
Molecular Weight338.31 g/mol
Exact Mass338.11
IUPAC Name1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(F)cc2F)cc(OC)c1OC
InChIInChI=1S/C16H16F2N2O4/c1-22-13-7-10(8-14(23-2)15(13)24-3)19-16(21)20-12-5-4-9(17)6-11(12)18/h4-8H,1-3H3,(H2,19,20,21)
InChIKeyASPMELKOVRWUER-UHFFFAOYSA-N
XLogP3.63
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)thiourea
CID 19678005
1-(2,4-difluorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 51579250
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
1-(4-amino-2-methoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 43288460
1-(2-bromo-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866764
1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 112976270
1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 972200
1-[2-(4-fluorophenyl)propan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea
CID 113216229
1-(2,4-difluorophenyl)-3-(2-ethoxypyrimidin-5-yl)urea
CID 122301865
1-(2,4-difluorophenyl)-3-(3,4-dipropoxyphenyl)urea
CID 2554098
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2433645
1-(3-amino-5-fluorophenyl)-3-(2,4-difluorophenyl)urea
CID 107334345

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea (CID 46859657) is 1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea is COc1cc(NC(=O)Nc2ccc(F)cc2F)cc(OC)c1OC.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is ASPMELKOVRWUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O4/c1-22-13-7-10(8-14(23-2)15(13)24-3)19-16(21)20-12-5-4-9(17)6-11(12)18/h4-8H,1-3H3,(H2,19,20,21).
What are the key properties of 1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea?
1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 338.31 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 46859657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).