1-(2-ethoxyphenyl)-3-(2-fluoro-5-methylphenyl)urea

C16H17FN2O2 — CID 6468024

IUPAC1-(2-ethoxyphenyl)-3-(2-fluoro-5-methylphenyl)urea
SMILESCCOc1ccccc1NC(=O)Nc1cc(C)ccc1F
InChIInChI=1S/C16H17FN2O2/c1-3-21-15-7-5-4-6-13(15)18-16(20)19-14-10-11(2)8-9-12(14)17/h4-10H,3H2,1-2H3,(H2,18,19,20)
InChIKeyVCUDLOBLOJHZAQ-UHFFFAOYSA-N
MW288.32 g/mol
LogP4.18
Rot. Bonds4

About 1-(2-ethoxyphenyl)-3-(2-fluoro-5-methylphenyl)urea

1-(2-ethoxyphenyl)-3-(2-fluoro-5-methylphenyl)urea (PubChem CID 6468024) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-(2-fluoro-5-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-(2-fluoro-5-methylphenyl)urea
PubChem CID6468024
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name1-(2-ethoxyphenyl)-3-(2-fluoro-5-methylphenyl)urea
SMILESCCOc1ccccc1NC(=O)Nc1cc(C)ccc1F
InChIInChI=1S/C16H17FN2O2/c1-3-21-15-7-5-4-6-13(15)18-16(20)19-14-10-11(2)8-9-12(14)17/h4-10H,3H2,1-2H3,(H2,18,19,20)
InChIKeyVCUDLOBLOJHZAQ-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-(2-ethoxyphenyl)urea
CID 108992038
1-(4-chloro-2-methylphenyl)-3-(2-ethoxyphenyl)urea
CID 108991826
1-(2-fluoro-5-methylphenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 46859836
1-(2-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970105
2-(2-ethoxyphenoxy)-N-(2-fluoro-4-methylphenyl)acetamide
CID 8893933
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea
CID 6467653
1-(2,5-difluorophenyl)-3-(2-ethylphenyl)urea
CID 6465020
N-(2-ethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 134012633
N-(2-ethoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47882363
1-(2-ethoxyphenyl)-3-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]urea
CID 122297608
N-(2-ethoxyphenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 94291772
N-(2-ethoxyphenyl)-2,4,6-trimethylbenzamide
CID 17060500

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-(2-fluoro-5-methylphenyl)urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-(2-fluoro-5-methylphenyl)urea (CID 6468024) is 1-(2-ethoxyphenyl)-3-(2-fluoro-5-methylphenyl)urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-(2-fluoro-5-methylphenyl)urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-(2-fluoro-5-methylphenyl)urea is CCOc1ccccc1NC(=O)Nc1cc(C)ccc1F.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-(2-fluoro-5-methylphenyl)urea?
The InChIKey is VCUDLOBLOJHZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-3-21-15-7-5-4-6-13(15)18-16(20)19-14-10-11(2)8-9-12(14)17/h4-10H,3H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(2-ethoxyphenyl)-3-(2-fluoro-5-methylphenyl)urea?
1-(2-ethoxyphenyl)-3-(2-fluoro-5-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-(2-ethoxyphenyl)-3-(2-fluoro-5-methylphenyl)urea is sourced from PubChem (CID 6468024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).