3-(3,4-difluorophenyl)-1-ethyl-1-(3-methylphenyl)urea

C16H16F2N2O — CID 108992795

IUPAC3-(3,4-difluorophenyl)-1-ethyl-1-(3-methylphenyl)urea
SMILESCCN(C(=O)Nc1ccc(F)c(F)c1)c1cccc(C)c1
InChIInChI=1S/C16H16F2N2O/c1-3-20(13-6-4-5-11(2)9-13)16(21)19-12-7-8-14(17)15(18)10-12/h4-10H,3H2,1-2H3,(H,19,21)
InChIKeyKHNIUXOHTMQSBA-UHFFFAOYSA-N
MW290.31 g/mol
LogP4.33
Rot. Bonds3

About 3-(3,4-difluorophenyl)-1-ethyl-1-(3-methylphenyl)urea

3-(3,4-difluorophenyl)-1-ethyl-1-(3-methylphenyl)urea (PubChem CID 108992795) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-1-ethyl-1-(3-methylphenyl)urea.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-1-ethyl-1-(3-methylphenyl)urea
PubChem CID108992795
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name3-(3,4-difluorophenyl)-1-ethyl-1-(3-methylphenyl)urea
SMILESCCN(C(=O)Nc1ccc(F)c(F)c1)c1cccc(C)c1
InChIInChI=1S/C16H16F2N2O/c1-3-20(13-6-4-5-11(2)9-13)16(21)19-12-7-8-14(17)15(18)10-12/h4-10H,3H2,1-2H3,(H,19,21)
InChIKeyKHNIUXOHTMQSBA-UHFFFAOYSA-N
XLogP4.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,5-dihydroxyphenyl)-1-ethyl-1-(3-methylphenyl)urea
CID 108895597
3-(4-cyanophenyl)-1-ethyl-1-(3-methylphenyl)urea
CID 108992791
1-ethyl-3-(3-methoxyphenyl)-1-(3-methylphenyl)urea
CID 108869177
N-(3-chloro-4-fluorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108969220
N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide
CID 108521844
N-(4-chlorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108969024
3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide
CID 109034228
2-(3-acetamidoanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 109009943
N-(3,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108953668
2-chloro-N-[ethyl-(3-methylphenyl)carbamoyl]acetamide
CID 61103967
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
N-(2,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108532413

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-1-ethyl-1-(3-methylphenyl)urea?
The IUPAC name of 3-(3,4-difluorophenyl)-1-ethyl-1-(3-methylphenyl)urea (CID 108992795) is 3-(3,4-difluorophenyl)-1-ethyl-1-(3-methylphenyl)urea.
What is the SMILES notation for 3-(3,4-difluorophenyl)-1-ethyl-1-(3-methylphenyl)urea?
The canonical SMILES for 3-(3,4-difluorophenyl)-1-ethyl-1-(3-methylphenyl)urea is CCN(C(=O)Nc1ccc(F)c(F)c1)c1cccc(C)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-1-ethyl-1-(3-methylphenyl)urea?
The InChIKey is KHNIUXOHTMQSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-3-20(13-6-4-5-11(2)9-13)16(21)19-12-7-8-14(17)15(18)10-12/h4-10H,3H2,1-2H3,(H,19,21).
What are the key properties of 3-(3,4-difluorophenyl)-1-ethyl-1-(3-methylphenyl)urea?
3-(3,4-difluorophenyl)-1-ethyl-1-(3-methylphenyl)urea has a molecular weight of 290.31 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-1-ethyl-1-(3-methylphenyl)urea is sourced from PubChem (CID 108992795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).