1-(2,5-dichlorophenyl)-3-(2,3,4-trifluorophenyl)urea

C13H7Cl2F3N2O — CID 108886224

IUPAC1-(2,5-dichlorophenyl)-3-(2,3,4-trifluorophenyl)urea
SMILESO=C(Nc1cc(Cl)ccc1Cl)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H7Cl2F3N2O/c14-6-1-2-7(15)10(5-6)20-13(21)19-9-4-3-8(16)11(17)12(9)18/h1-5H,(H2,19,20,21)
InChIKeyXNPVOCLUQOEKQV-UHFFFAOYSA-N
MW335.11 g/mol
LogP5.05
Rot. Bonds2

About 1-(2,5-dichlorophenyl)-3-(2,3,4-trifluorophenyl)urea

1-(2,5-dichlorophenyl)-3-(2,3,4-trifluorophenyl)urea (PubChem CID 108886224) has the molecular formula C13H7Cl2F3N2O and a molecular weight of 335.11 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(2,3,4-trifluorophenyl)urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(2,3,4-trifluorophenyl)urea
PubChem CID108886224
Molecular FormulaC13H7Cl2F3N2O
Molecular Weight335.11 g/mol
Exact Mass333.99
IUPAC Name1-(2,5-dichlorophenyl)-3-(2,3,4-trifluorophenyl)urea
SMILESO=C(Nc1cc(Cl)ccc1Cl)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H7Cl2F3N2O/c14-6-1-2-7(15)10(5-6)20-13(21)19-9-4-3-8(16)11(17)12(9)18/h1-5H,(H2,19,20,21)
InChIKeyXNPVOCLUQOEKQV-UHFFFAOYSA-N
XLogP5.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.11
LogP ≤ 55.05
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-(5-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892469
1-(2,3,4-trifluorophenyl)-3-(3,4,5-trihydroxyphenyl)urea
CID 108871967
1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892630
1-(3-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892437
1-(carbamoylamino)-3-(2,5-dichlorophenyl)urea
CID 75369271
N-(2,3,4-trifluorophenyl)carbamoyl chloride
CID 135378895
N-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108524160
1-(2,5-dichlorophenyl)-3-(1,2-oxazol-5-yl)urea
CID 108813934
1-(3-chloro-2-methylphenyl)-3-(2,5-dichlorophenyl)urea
CID 108886097
3-amino-4-chloro-N-(2,3,4-trifluorophenyl)benzamide
CID 28722870
methyl 4-chloro-3-[(2,4-dichlorophenyl)carbamoylamino]benzoate
CID 108992420
methyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate
CID 12761941

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(2,3,4-trifluorophenyl)urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(2,3,4-trifluorophenyl)urea (CID 108886224) is 1-(2,5-dichlorophenyl)-3-(2,3,4-trifluorophenyl)urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(2,3,4-trifluorophenyl)urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(2,3,4-trifluorophenyl)urea is O=C(Nc1cc(Cl)ccc1Cl)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(2,3,4-trifluorophenyl)urea?
The InChIKey is XNPVOCLUQOEKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3N2O/c14-6-1-2-7(15)10(5-6)20-13(21)19-9-4-3-8(16)11(17)12(9)18/h1-5H,(H2,19,20,21).
What are the key properties of 1-(2,5-dichlorophenyl)-3-(2,3,4-trifluorophenyl)urea?
1-(2,5-dichlorophenyl)-3-(2,3,4-trifluorophenyl)urea has a molecular weight of 335.11 g/mol, XLogP of 5.05, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-(2,3,4-trifluorophenyl)urea is sourced from PubChem (CID 108886224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).