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

C13H9ClF2N2O — CID 898171

IUPAC1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ccc(F)cc1F
InChIInChI=1S/C13H9ClF2N2O/c14-8-2-1-3-10(6-8)17-13(19)18-12-5-4-9(15)7-11(12)16/h1-7H,(H2,17,18,19)
InChIKeyIMWYYBGSWWSTDD-UHFFFAOYSA-N
MW282.68 g/mol
LogP4.26
Rot. Bonds2

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

1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea (PubChem CID 898171) has the molecular formula C13H9ClF2N2O and a molecular weight of 282.68 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea
PubChem CID898171
Molecular FormulaC13H9ClF2N2O
Molecular Weight282.68 g/mol
Exact Mass282.04
IUPAC Name1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ccc(F)cc1F
InChIInChI=1S/C13H9ClF2N2O/c14-8-2-1-3-10(6-8)17-13(19)18-12-5-4-9(15)7-11(12)16/h1-7H,(H2,17,18,19)
InChIKeyIMWYYBGSWWSTDD-UHFFFAOYSA-N
XLogP4.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.68
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-3-(3-iodophenyl)urea
CID 47103689
3-[(2,4-difluorophenyl)carbamoylamino]benzoic acid
CID 6464794
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
1-(5-amino-2-fluorophenyl)-3-(3-chlorophenyl)urea
CID 16777079
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
1-(4-bromo-3-fluorophenyl)-3-(3-chlorophenyl)urea
CID 65431813
N-(3-chlorophenyl)-5-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109199191
1-(3-chlorophenyl)-3-[2-fluoro-4-(quinoxaline-6-carbonyl)phenyl]urea
CID 75203369
1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892630
1-(2-bromo-4-methylphenyl)-3-(3-chlorophenyl)urea
CID 4549529
5-(3-chloroanilino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 109244550
1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 108893983

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea (CID 898171) is 1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea is O=C(Nc1cccc(Cl)c1)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea?
The InChIKey is IMWYYBGSWWSTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O/c14-8-2-1-3-10(6-8)17-13(19)18-12-5-4-9(15)7-11(12)16/h1-7H,(H2,17,18,19).
What are the key properties of 1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea?
1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea has a molecular weight of 282.68 g/mol, XLogP of 4.26, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 898171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).