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

C13H9F2IN2O — CID 47103689

IUPAC1-(2,4-difluorophenyl)-3-(3-iodophenyl)urea
SMILESO=C(Nc1cccc(I)c1)Nc1ccc(F)cc1F
InChIInChI=1S/C13H9F2IN2O/c14-8-4-5-12(11(15)6-8)18-13(19)17-10-3-1-2-9(16)7-10/h1-7H,(H2,17,18,19)
InChIKeyAWSOEOUXAYEOIJ-UHFFFAOYSA-N
MW374.13 g/mol
LogP4.21
Rot. Bonds2

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

1-(2,4-difluorophenyl)-3-(3-iodophenyl)urea (PubChem CID 47103689) has the molecular formula C13H9F2IN2O and a molecular weight of 374.13 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(3-iodophenyl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(3-iodophenyl)urea
PubChem CID47103689
Molecular FormulaC13H9F2IN2O
Molecular Weight374.13 g/mol
Exact Mass373.97
IUPAC Name1-(2,4-difluorophenyl)-3-(3-iodophenyl)urea
SMILESO=C(Nc1cccc(I)c1)Nc1ccc(F)cc1F
InChIInChI=1S/C13H9F2IN2O/c14-8-4-5-12(11(15)6-8)18-13(19)17-10-3-1-2-9(16)7-10/h1-7H,(H2,17,18,19)
InChIKeyAWSOEOUXAYEOIJ-UHFFFAOYSA-N
XLogP4.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.13
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea
CID 898171
3-[(2,4-difluorophenyl)carbamoylamino]benzoic acid
CID 6464794
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-(3-iodophenyl)propanamide
CID 55871164
1-(3-iodophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 61400274
3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057757
1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea
CID 46859941
2,4-difluoro-N-[5-fluoro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 121264564
1-(3-amino-5-fluorophenyl)-3-(2,4-difluorophenyl)urea
CID 107334345
N-(2,4-difluorophenyl)-2,6-difluorobenzamide
CID 2796874
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892630

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(3-iodophenyl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(3-iodophenyl)urea (CID 47103689) is 1-(2,4-difluorophenyl)-3-(3-iodophenyl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(3-iodophenyl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(3-iodophenyl)urea is O=C(Nc1cccc(I)c1)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(3-iodophenyl)urea?
The InChIKey is AWSOEOUXAYEOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2IN2O/c14-8-4-5-12(11(15)6-8)18-13(19)17-10-3-1-2-9(16)7-10/h1-7H,(H2,17,18,19).
What are the key properties of 1-(2,4-difluorophenyl)-3-(3-iodophenyl)urea?
1-(2,4-difluorophenyl)-3-(3-iodophenyl)urea has a molecular weight of 374.13 g/mol, XLogP of 4.21, 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-(3-iodophenyl)urea is sourced from PubChem (CID 47103689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).