1-(4-ethoxyphenyl)-3-(3-fluoro-2-methylphenyl)urea

C16H17FN2O2 — CID 46860109

IUPAC1-(4-ethoxyphenyl)-3-(3-fluoro-2-methylphenyl)urea
SMILESCCOc1ccc(NC(=O)Nc2cccc(F)c2C)cc1
InChIInChI=1S/C16H17FN2O2/c1-3-21-13-9-7-12(8-10-13)18-16(20)19-15-6-4-5-14(17)11(15)2/h4-10H,3H2,1-2H3,(H2,18,19,20)
InChIKeyMIEQTIGDRSIVRX-UHFFFAOYSA-N
MW288.32 g/mol
LogP4.18
Rot. Bonds4

About 1-(4-ethoxyphenyl)-3-(3-fluoro-2-methylphenyl)urea

1-(4-ethoxyphenyl)-3-(3-fluoro-2-methylphenyl)urea (PubChem CID 46860109) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(3-fluoro-2-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(3-fluoro-2-methylphenyl)urea
PubChem CID46860109
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name1-(4-ethoxyphenyl)-3-(3-fluoro-2-methylphenyl)urea
SMILESCCOc1ccc(NC(=O)Nc2cccc(F)c2C)cc1
InChIInChI=1S/C16H17FN2O2/c1-3-21-13-9-7-12(8-10-13)18-16(20)19-15-6-4-5-14(17)11(15)2/h4-10H,3H2,1-2H3,(H2,18,19,20)
InChIKeyMIEQTIGDRSIVRX-UHFFFAOYSA-N
XLogP4.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-3-(4-ethoxyphenyl)urea
CID 108874314
1-(3-fluoro-2-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 46860155
1-(4-cyanophenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860121
ethyl 2-[(4-ethoxyphenyl)carbamoylamino]benzoate
CID 108874271
1-(2,6-diethylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874290
1-(3,4-difluorophenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860135
1-(3-fluoro-2-methylphenyl)-3-(4-sulfamoylphenyl)urea
CID 46860176
1-[2-[(2R)-butan-2-yl]phenyl]-3-(4-ethoxyphenyl)urea
CID 970476
1-N-(4-ethoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049866
(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(4-ethoxyphenyl)acetamide
CID 97101214
N-(2,3-dimethylphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108968149
1-(4-ethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 17374948

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(3-fluoro-2-methylphenyl)urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(3-fluoro-2-methylphenyl)urea (CID 46860109) is 1-(4-ethoxyphenyl)-3-(3-fluoro-2-methylphenyl)urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(3-fluoro-2-methylphenyl)urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(3-fluoro-2-methylphenyl)urea is CCOc1ccc(NC(=O)Nc2cccc(F)c2C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(3-fluoro-2-methylphenyl)urea?
The InChIKey is MIEQTIGDRSIVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-3-21-13-9-7-12(8-10-13)18-16(20)19-15-6-4-5-14(17)11(15)2/h4-10H,3H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(4-ethoxyphenyl)-3-(3-fluoro-2-methylphenyl)urea?
1-(4-ethoxyphenyl)-3-(3-fluoro-2-methylphenyl)urea has a molecular weight of 288.32 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(3-fluoro-2-methylphenyl)urea is sourced from PubChem (CID 46860109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).