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

C17H18F2N2O3 — CID 46859658

IUPAC1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea
SMILESCCOc1ccc(OCC)c(NC(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C17H18F2N2O3/c1-3-23-12-6-8-16(24-4-2)15(10-12)21-17(22)20-14-7-5-11(18)9-13(14)19/h5-10H,3-4H2,1-2H3,(H2,20,21,22)
InChIKeyJZLWHDJWHLRWTG-UHFFFAOYSA-N
MW336.34 g/mol
LogP4.41
Rot. Bonds6

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

1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea (PubChem CID 46859658) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is 1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea
PubChem CID46859658
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea
SMILESCCOc1ccc(OCC)c(NC(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C17H18F2N2O3/c1-3-23-12-6-8-16(24-4-2)15(10-12)21-17(22)20-14-7-5-11(18)9-13(14)19/h5-10H,3-4H2,1-2H3,(H2,20,21,22)
InChIKeyJZLWHDJWHLRWTG-UHFFFAOYSA-N
XLogP4.41
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-3-(2-ethoxypyrimidin-5-yl)urea
CID 122301865
N-(2,5-diethoxyphenyl)-2-(3-fluorophenyl)acetamide
CID 26179952
1-butyl-3-(2,5-diethoxyphenyl)urea
CID 115569945
2-chloro-N-[(2,5-diethoxyphenyl)carbamoyl]acetamide
CID 43328839
N-(2,5-diethoxyphenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46404018
N-(2,5-diethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 43000702
2-[(2,4-difluorophenyl)carbamoylamino]-6-ethoxy-1-benzothiophene-3-carboxamide
CID 69447147
N-(2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
CID 46686523
N-(2,5-diethoxyphenyl)-2-methoxypropanamide
CID 47301395
1-(2,4-difluorophenyl)-3-(3,4-dipropoxyphenyl)urea
CID 2554098
1-(3-bromophenyl)-3-(2,5-diethoxyphenyl)urea
CID 46859910
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea (CID 46859658) is 1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea is CCOc1ccc(OCC)c(NC(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of 1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea?
The InChIKey is JZLWHDJWHLRWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-3-23-12-6-8-16(24-4-2)15(10-12)21-17(22)20-14-7-5-11(18)9-13(14)19/h5-10H,3-4H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea?
1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea has a molecular weight of 336.34 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 46859658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).