1-(2-amino-4,6-difluorophenyl)-3-phenylurea

C13H11F2N3O — CID 81311026

IUPAC1-(2-amino-4,6-difluorophenyl)-3-phenylurea
SMILESNc1cc(F)cc(F)c1NC(=O)Nc1ccccc1
InChIInChI=1S/C13H11F2N3O/c14-8-6-10(15)12(11(16)7-8)18-13(19)17-9-4-2-1-3-5-9/h1-7H,16H2,(H2,17,18,19)
InChIKeyHWUQTAVYTOUYRV-UHFFFAOYSA-N
MW263.25 g/mol
LogP3.19
Rot. Bonds2

About 1-(2-amino-4,6-difluorophenyl)-3-phenylurea

1-(2-amino-4,6-difluorophenyl)-3-phenylurea (PubChem CID 81311026) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is 1-(2-amino-4,6-difluorophenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-amino-4,6-difluorophenyl)-3-phenylurea
PubChem CID81311026
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name1-(2-amino-4,6-difluorophenyl)-3-phenylurea
SMILESNc1cc(F)cc(F)c1NC(=O)Nc1ccccc1
InChIInChI=1S/C13H11F2N3O/c14-8-6-10(15)12(11(16)7-8)18-13(19)17-9-4-2-1-3-5-9/h1-7H,16H2,(H2,17,18,19)
InChIKeyHWUQTAVYTOUYRV-UHFFFAOYSA-N
XLogP3.19
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 53.19
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

1,3-bis(2,4,6-trifluorophenyl)urea
CID 11716736
N-(2-amino-4,6-difluorophenyl)-2-(2-fluorophenyl)acetamide
CID 81313560
1-(3-amino-4-methylphenyl)-3-(2,4-difluoro-6-methylphenyl)urea
CID 143694332
1-(4-aminophenyl)-3-(2,6-difluorophenyl)urea
CID 43469078
1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea
CID 16777898
N-(2-amino-4,6-difluorophenyl)pyridine-3-carboxamide
CID 81315271
ethyl 4-[(2,4,6-trifluorophenyl)carbamoylamino]benzoate
CID 59825425
1-(3-amino-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 54910981
1-(2-bromo-4,6-difluorophenyl)-3-pyridin-4-ylurea
CID 58862009
1-(3-aminophenyl)-3-(3,5-difluorophenyl)urea
CID 29042158
2-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzamide
CID 63109685
N-(2-amino-4,6-difluorophenyl)-5-chlorothiophene-2-carboxamide
CID 81315290

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4,6-difluorophenyl)-3-phenylurea?
The IUPAC name of 1-(2-amino-4,6-difluorophenyl)-3-phenylurea (CID 81311026) is 1-(2-amino-4,6-difluorophenyl)-3-phenylurea.
What is the SMILES notation for 1-(2-amino-4,6-difluorophenyl)-3-phenylurea?
The canonical SMILES for 1-(2-amino-4,6-difluorophenyl)-3-phenylurea is Nc1cc(F)cc(F)c1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-(2-amino-4,6-difluorophenyl)-3-phenylurea?
The InChIKey is HWUQTAVYTOUYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c14-8-6-10(15)12(11(16)7-8)18-13(19)17-9-4-2-1-3-5-9/h1-7H,16H2,(H2,17,18,19).
What are the key properties of 1-(2-amino-4,6-difluorophenyl)-3-phenylurea?
1-(2-amino-4,6-difluorophenyl)-3-phenylurea has a molecular weight of 263.25 g/mol, XLogP of 3.19, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,6-difluorophenyl)-3-phenylurea is sourced from PubChem (CID 81311026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).