1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea

C13H9ClF2N2O — CID 108893983

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

About 1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea

1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea (PubChem CID 108893983) has the molecular formula C13H9ClF2N2O and a molecular weight of 282.68 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea
PubChem CID108893983
Molecular FormulaC13H9ClF2N2O
Molecular Weight282.68 g/mol
Exact Mass282.04
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea
SMILESO=C(Nc1cccc(F)c1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H9ClF2N2O/c14-11-7-10(4-5-12(11)16)18-13(19)17-9-3-1-2-8(15)6-9/h1-7H,(H2,17,18,19)
InChIKeyUSMPJQJIQGNVLZ-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-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)acetamide
CID 9099614
3-chloro-4-fluoro-N-(3-fluorophenyl)aniline
CID 82536211
1-(3-amino-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 54910981
1-[3-(1-aminoethyl)phenyl]-3-(3-chloro-4-fluorophenyl)urea
CID 61340020
1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea
CID 108871538
2-N-(3-chloro-4-fluorophenyl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092972
1-(3-fluorophenyl)-3-(4-sulfanylphenyl)urea
CID 43836137
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109269249
1-(4-fluoro-3-nitrophenyl)-3-(3-fluorophenyl)urea
CID 4189707
1-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)urea
CID 108868551
N'-(4-amino-3-chlorophenyl)-N-(3-fluorophenyl)oxamide
CID 108516241

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea (CID 108893983) is 1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea is O=C(Nc1cccc(F)c1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea?
The InChIKey is USMPJQJIQGNVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N2O/c14-11-7-10(4-5-12(11)16)18-13(19)17-9-3-1-2-8(15)6-9/h1-7H,(H2,17,18,19).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea?
1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)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-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea is sourced from PubChem (CID 108893983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).