1-(2,6-difluorophenyl)-3-(4-ethoxyphenyl)urea

C15H14F2N2O2 — CID 108874314

IUPAC1-(2,6-difluorophenyl)-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C15H14F2N2O2/c1-2-21-11-8-6-10(7-9-11)18-15(20)19-14-12(16)4-3-5-13(14)17/h3-9H,2H2,1H3,(H2,18,19,20)
InChIKeyXGQWAYINTCLPRJ-UHFFFAOYSA-N
MW292.29 g/mol
LogP4.01
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-(4-ethoxyphenyl)urea

1-(2,6-difluorophenyl)-3-(4-ethoxyphenyl)urea (PubChem CID 108874314) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-(4-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-(4-ethoxyphenyl)urea
PubChem CID108874314
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name1-(2,6-difluorophenyl)-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)Nc2c(F)cccc2F)cc1
InChIInChI=1S/C15H14F2N2O2/c1-2-21-11-8-6-10(7-9-11)18-15(20)19-14-12(16)4-3-5-13(14)17/h3-9H,2H2,1H3,(H2,18,19,20)
InChIKeyXGQWAYINTCLPRJ-UHFFFAOYSA-N
XLogP4.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-diethylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874290
1-(4-ethoxyphenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860109
1-(2,6-difluorophenyl)-3-(4-ethylphenyl)urea
CID 108991509
1-(4-ethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 17374948
1-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)urea
CID 108992038
N-[(4-ethoxyphenyl)carbamoyl]formamide
CID 174454424
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354
4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
CID 108874268
N'-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]oxamide
CID 2989314
4-[(2,6-difluorophenyl)carbamoylamino]benzoic acid
CID 61196504
1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea
CID 69341761
[3-[(4-ethoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865154

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-(4-ethoxyphenyl)urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-(4-ethoxyphenyl)urea (CID 108874314) is 1-(2,6-difluorophenyl)-3-(4-ethoxyphenyl)urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-(4-ethoxyphenyl)urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-(4-ethoxyphenyl)urea is CCOc1ccc(NC(=O)Nc2c(F)cccc2F)cc1.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-(4-ethoxyphenyl)urea?
The InChIKey is XGQWAYINTCLPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-2-21-11-8-6-10(7-9-11)18-15(20)19-14-12(16)4-3-5-13(14)17/h3-9H,2H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2,6-difluorophenyl)-3-(4-ethoxyphenyl)urea?
1-(2,6-difluorophenyl)-3-(4-ethoxyphenyl)urea has a molecular weight of 292.29 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-(4-ethoxyphenyl)urea is sourced from PubChem (CID 108874314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).