1-(4-fluorophenyl)-3-(2,4,5-trichlorophenyl)urea

C13H8Cl3FN2O — CID 3251975

IUPAC1-(4-fluorophenyl)-3-(2,4,5-trichlorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H8Cl3FN2O/c14-9-5-11(16)12(6-10(9)15)19-13(20)18-8-3-1-7(17)2-4-8/h1-6H,(H2,18,19,20)
InChIKeySLRAJLRNOIPCOV-UHFFFAOYSA-N
MW333.58 g/mol
LogP5.43
Rot. Bonds2

About 1-(4-fluorophenyl)-3-(2,4,5-trichlorophenyl)urea

1-(4-fluorophenyl)-3-(2,4,5-trichlorophenyl)urea (PubChem CID 3251975) has the molecular formula C13H8Cl3FN2O and a molecular weight of 333.58 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2,4,5-trichlorophenyl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2,4,5-trichlorophenyl)urea
PubChem CID3251975
Molecular FormulaC13H8Cl3FN2O
Molecular Weight333.58 g/mol
Exact Mass331.97
IUPAC Name1-(4-fluorophenyl)-3-(2,4,5-trichlorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H8Cl3FN2O/c14-9-5-11(16)12(6-10(9)15)19-13(20)18-8-3-1-7(17)2-4-8/h1-6H,(H2,18,19,20)
InChIKeySLRAJLRNOIPCOV-UHFFFAOYSA-N
XLogP5.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.58
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 797745
1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea
CID 16777898
1-(4-chlorophenyl)-3-(2,4-dichloro-5-sulfamoylphenyl)urea
CID 90644504
(2R)-2-(4-fluorophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 51642379
1-(4-chlorophenyl)-3-(4-fluoro-2-iodophenyl)urea
CID 79766072
1-(4-bromo-2,5-difluorophenyl)-3-(4-fluorophenyl)urea
CID 107612564
4-fluoro-N-[(2,4,5-trichlorophenyl)carbamothioyl]benzamide
CID 2281952
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide
CID 55364731
N-(2,4,5-trichlorophenyl)carbamoyl fluoride
CID 88834556
1-(2-bromophenyl)-3-(4-fluorophenyl)urea
CID 835097
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2,4,5-trichlorophenyl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(2,4,5-trichlorophenyl)urea (CID 3251975) is 1-(4-fluorophenyl)-3-(2,4,5-trichlorophenyl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2,4,5-trichlorophenyl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2,4,5-trichlorophenyl)urea is O=C(Nc1ccc(F)cc1)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2,4,5-trichlorophenyl)urea?
The InChIKey is SLRAJLRNOIPCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3FN2O/c14-9-5-11(16)12(6-10(9)15)19-13(20)18-8-3-1-7(17)2-4-8/h1-6H,(H2,18,19,20).
What are the key properties of 1-(4-fluorophenyl)-3-(2,4,5-trichlorophenyl)urea?
1-(4-fluorophenyl)-3-(2,4,5-trichlorophenyl)urea has a molecular weight of 333.58 g/mol, XLogP of 5.43, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2,4,5-trichlorophenyl)urea is sourced from PubChem (CID 3251975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).