1-(2,4-difluorophenyl)-3-(2-methylprop-1-enyl)urea

C11H12F2N2O — CID 108910070

IUPAC1-(2,4-difluorophenyl)-3-(2-methylprop-1-enyl)urea
SMILESCC(C)=CNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C11H12F2N2O/c1-7(2)6-14-11(16)15-10-4-3-8(12)5-9(10)13/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyPQNKLESDKXWJQQ-UHFFFAOYSA-N
MW226.23 g/mol
LogP3.01
Rot. Bonds2

About 1-(2,4-difluorophenyl)-3-(2-methylprop-1-enyl)urea

1-(2,4-difluorophenyl)-3-(2-methylprop-1-enyl)urea (PubChem CID 108910070) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(2-methylprop-1-enyl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(2-methylprop-1-enyl)urea
PubChem CID108910070
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name1-(2,4-difluorophenyl)-3-(2-methylprop-1-enyl)urea
SMILESCC(C)=CNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C11H12F2N2O/c1-7(2)6-14-11(16)15-10-4-3-8(12)5-9(10)13/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyPQNKLESDKXWJQQ-UHFFFAOYSA-N
XLogP3.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclopentylidenemethyl)-3-(2,4-difluorophenyl)urea
CID 108913742
1-(2,4-difluorophenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108908226
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
N-(2,4-difluorophenyl)-2-oxoacetamide
CID 115165918
1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892630
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea
CID 146780735
2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid
CID 43288482
1-(2,4-difluorophenyl)-3-pentan-3-ylurea
CID 6469007
3-[(2,4-difluorophenyl)carbamoylamino]-4-methylbenzoic acid
CID 1297024
N-(2,4-difluorophenyl)prop-2-enamide
CID 23202681

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(2-methylprop-1-enyl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(2-methylprop-1-enyl)urea (CID 108910070) is 1-(2,4-difluorophenyl)-3-(2-methylprop-1-enyl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(2-methylprop-1-enyl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(2-methylprop-1-enyl)urea is CC(C)=CNC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(2-methylprop-1-enyl)urea?
The InChIKey is PQNKLESDKXWJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c1-7(2)6-14-11(16)15-10-4-3-8(12)5-9(10)13/h3-6H,1-2H3,(H2,14,15,16).
What are the key properties of 1-(2,4-difluorophenyl)-3-(2-methylprop-1-enyl)urea?
1-(2,4-difluorophenyl)-3-(2-methylprop-1-enyl)urea has a molecular weight of 226.23 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(2-methylprop-1-enyl)urea is sourced from PubChem (CID 108910070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).