1-[[2-(difluoromethoxy)phenyl]methyl]-3-(4-ethoxyphenyl)urea

C17H18F2N2O3 — CID 74225609

IUPAC1-[[2-(difluoromethoxy)phenyl]methyl]-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)NCc2ccccc2OC(F)F)cc1
InChIInChI=1S/C17H18F2N2O3/c1-2-23-14-9-7-13(8-10-14)21-17(22)20-11-12-5-3-4-6-15(12)24-16(18)19/h3-10,16H,2,11H2,1H3,(H2,20,21,22)
InChIKeyUPUABJSINUQJIO-UHFFFAOYSA-N
MW336.34 g/mol
LogP4.01
Rot. Bonds7

About 1-[[2-(difluoromethoxy)phenyl]methyl]-3-(4-ethoxyphenyl)urea

1-[[2-(difluoromethoxy)phenyl]methyl]-3-(4-ethoxyphenyl)urea (PubChem CID 74225609) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)phenyl]methyl]-3-(4-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)phenyl]methyl]-3-(4-ethoxyphenyl)urea
PubChem CID74225609
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name1-[[2-(difluoromethoxy)phenyl]methyl]-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)NCc2ccccc2OC(F)F)cc1
InChIInChI=1S/C17H18F2N2O3/c1-2-23-14-9-7-13(8-10-14)21-17(22)20-11-12-5-3-4-6-15(12)24-16(18)19/h3-10,16H,2,11H2,1H3,(H2,20,21,22)
InChIKeyUPUABJSINUQJIO-UHFFFAOYSA-N
XLogP4.01
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-(difluoromethoxy)phenyl]methylcarbamoylamino]phenyl]-2-methylpropanamide
CID 86987896
1-(3-chloro-4-methylphenyl)-3-[[2-(difluoromethoxy)phenyl]methyl]urea
CID 24612567
1-[[2-(difluoromethoxy)phenyl]methyl]-3-(5-methylhexan-2-yl)urea
CID 78833839
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 2691792
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 4995803
4-benzamido-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
CID 24659050
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]urea
CID 47033178
1-(4-ethoxyphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892159
1-N-[[2-(difluoromethoxy)phenyl]methyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 47085091
N'-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]oxamide
CID 2989314
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 17455488
1-(4-ethoxyphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972292

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]-3-(4-ethoxyphenyl)urea?
The IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]-3-(4-ethoxyphenyl)urea (CID 74225609) is 1-[[2-(difluoromethoxy)phenyl]methyl]-3-(4-ethoxyphenyl)urea.
What is the SMILES notation for 1-[[2-(difluoromethoxy)phenyl]methyl]-3-(4-ethoxyphenyl)urea?
The canonical SMILES for 1-[[2-(difluoromethoxy)phenyl]methyl]-3-(4-ethoxyphenyl)urea is CCOc1ccc(NC(=O)NCc2ccccc2OC(F)F)cc1.
What is the InChIKey of 1-[[2-(difluoromethoxy)phenyl]methyl]-3-(4-ethoxyphenyl)urea?
The InChIKey is UPUABJSINUQJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-2-23-14-9-7-13(8-10-14)21-17(22)20-11-12-5-3-4-6-15(12)24-16(18)19/h3-10,16H,2,11H2,1H3,(H2,20,21,22).
What are the key properties of 1-[[2-(difluoromethoxy)phenyl]methyl]-3-(4-ethoxyphenyl)urea?
1-[[2-(difluoromethoxy)phenyl]methyl]-3-(4-ethoxyphenyl)urea has a molecular weight of 336.34 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)phenyl]methyl]-3-(4-ethoxyphenyl)urea is sourced from PubChem (CID 74225609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).