1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea

C13H7F5N2O — CID 108892630

IUPAC1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H7F5N2O/c14-6-1-3-9(8(16)5-6)19-13(21)20-10-4-2-7(15)11(17)12(10)18/h1-5H,(H2,19,20,21)
InChIKeyFVDKHPVZWJEHDY-UHFFFAOYSA-N
MW302.20 g/mol
LogP4.03
Rot. Bonds2

About 1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea

1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea (PubChem CID 108892630) has the molecular formula C13H7F5N2O and a molecular weight of 302.20 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
PubChem CID108892630
Molecular FormulaC13H7F5N2O
Molecular Weight302.20 g/mol
Exact Mass302.05
IUPAC Name1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H7F5N2O/c14-6-1-3-9(8(16)5-6)19-13(21)20-10-4-2-7(15)11(17)12(10)18/h1-5H,(H2,19,20,21)
InChIKeyFVDKHPVZWJEHDY-UHFFFAOYSA-N
XLogP4.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
N'-(2,4-difluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide
CID 86995752
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
1-(2,3,4-trifluorophenyl)-3-(3,4,5-trihydroxyphenyl)urea
CID 108871967
1-(2,5-dichlorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108886224
1-(2-cyano-4-fluorophenyl)-3-(2,4-difluorophenyl)urea
CID 115279853
1-(2,4-difluorophenyl)-3-(2-fluoro-4-propan-2-ylphenyl)urea
CID 146780735
1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea
CID 27138045
1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea
CID 898171
1-(2-chloro-4-hydroxyphenyl)-3-(2,4-difluorophenyl)urea
CID 64789111
1-(5-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892469

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea (CID 108892630) is 1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea is O=C(Nc1ccc(F)cc1F)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea?
The InChIKey is FVDKHPVZWJEHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F5N2O/c14-6-1-3-9(8(16)5-6)19-13(21)20-10-4-2-7(15)11(17)12(10)18/h1-5H,(H2,19,20,21).
What are the key properties of 1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea?
1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea has a molecular weight of 302.20 g/mol, XLogP of 4.03, 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-(2,3,4-trifluorophenyl)urea is sourced from PubChem (CID 108892630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).