1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea

C14H11F3N2O — CID 46859678

IUPAC1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
SMILESCc1ccc(F)cc1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H11F3N2O/c1-8-2-3-10(16)7-13(8)19-14(20)18-12-5-4-9(15)6-11(12)17/h2-7H,1H3,(H2,18,19,20)
InChIKeyJOKSADYGIWUNJS-UHFFFAOYSA-N
MW280.25 g/mol
LogP4.06
Rot. Bonds2

About 1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea

1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea (PubChem CID 46859678) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
PubChem CID46859678
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
SMILESCc1ccc(F)cc1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H11F3N2O/c1-8-2-3-10(16)7-13(8)19-14(20)18-12-5-4-9(15)6-11(12)17/h2-7H,1H3,(H2,18,19,20)
InChIKeyJOKSADYGIWUNJS-UHFFFAOYSA-N
XLogP4.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2,4-difluorophenyl)carbamoylamino]-4-methylbenzoic acid
CID 1297024
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(2,4-difluorophenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 972200
1-(2,4-difluorophenyl)-3-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]urea
CID 47005881
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
1-(2,4-difluorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 108991584
1-(2,4-difluorophenyl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)urea
CID 104620541
1-(2,4-difluorophenyl)-3-pentan-3-ylurea
CID 6469007
1-(5-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)urea
CID 970666
1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 970503

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea (CID 46859678) is 1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea is Cc1ccc(F)cc1NC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea?
The InChIKey is JOKSADYGIWUNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c1-8-2-3-10(16)7-13(8)19-14(20)18-12-5-4-9(15)6-11(12)17/h2-7H,1H3,(H2,18,19,20).
What are the key properties of 1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea?
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea has a molecular weight of 280.25 g/mol, XLogP of 4.06, 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-(5-fluoro-2-methylphenyl)urea is sourced from PubChem (CID 46859678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).