1-(3-amino-5-fluorophenyl)-3-(2,4-difluorophenyl)urea

C13H10F3N3O — CID 107334345

IUPAC1-(3-amino-5-fluorophenyl)-3-(2,4-difluorophenyl)urea
SMILESNc1cc(F)cc(NC(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C13H10F3N3O/c14-7-1-2-12(11(16)5-7)19-13(20)18-10-4-8(15)3-9(17)6-10/h1-6H,17H2,(H2,18,19,20)
InChIKeyYDWLXOAMFXURFL-UHFFFAOYSA-N
MW281.24 g/mol
LogP3.33
Rot. Bonds2

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

1-(3-amino-5-fluorophenyl)-3-(2,4-difluorophenyl)urea (PubChem CID 107334345) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is 1-(3-amino-5-fluorophenyl)-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-(3-amino-5-fluorophenyl)-3-(2,4-difluorophenyl)urea
PubChem CID107334345
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC Name1-(3-amino-5-fluorophenyl)-3-(2,4-difluorophenyl)urea
SMILESNc1cc(F)cc(NC(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C13H10F3N3O/c14-7-1-2-12(11(16)5-7)19-13(20)18-10-4-8(15)3-9(17)6-10/h1-6H,17H2,(H2,18,19,20)
InChIKeyYDWLXOAMFXURFL-UHFFFAOYSA-N
XLogP3.33
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea
CID 16777898
1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 46859657
1-(4-amino-2-methoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 43288460
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892630
1-(2,4-difluorophenyl)-3-(3-iodophenyl)urea
CID 47103689
1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea
CID 898171
1-(3-amino-4-pyridinyl)-3-(2,4-difluorophenyl)urea
CID 63062599
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
1-(3-aminophenyl)-3-(3,5-difluorophenyl)urea
CID 29042158
1-(2-chloro-4-hydroxyphenyl)-3-(2,4-difluorophenyl)urea
CID 64789111

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-fluorophenyl)-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-(3-amino-5-fluorophenyl)-3-(2,4-difluorophenyl)urea (CID 107334345) is 1-(3-amino-5-fluorophenyl)-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-(3-amino-5-fluorophenyl)-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-(3-amino-5-fluorophenyl)-3-(2,4-difluorophenyl)urea is Nc1cc(F)cc(NC(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of 1-(3-amino-5-fluorophenyl)-3-(2,4-difluorophenyl)urea?
The InChIKey is YDWLXOAMFXURFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c14-7-1-2-12(11(16)5-7)19-13(20)18-10-4-8(15)3-9(17)6-10/h1-6H,17H2,(H2,18,19,20).
What are the key properties of 1-(3-amino-5-fluorophenyl)-3-(2,4-difluorophenyl)urea?
1-(3-amino-5-fluorophenyl)-3-(2,4-difluorophenyl)urea has a molecular weight of 281.24 g/mol, XLogP of 3.33, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-fluorophenyl)-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 107334345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).