1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea

C13H11F2N3O — CID 16777898

IUPAC1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea
SMILESNc1cc(F)ccc1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H11F2N3O/c14-8-1-4-10(5-2-8)17-13(19)18-12-6-3-9(15)7-11(12)16/h1-7H,16H2,(H2,17,18,19)
InChIKeyAGFZNMIOJKFXBZ-UHFFFAOYSA-N
MW263.25 g/mol
LogP3.19
Rot. Bonds2

About 1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea

1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea (PubChem CID 16777898) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is 1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea
PubChem CID16777898
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea
SMILESNc1cc(F)ccc1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H11F2N3O/c14-8-1-4-10(5-2-8)17-13(19)18-12-6-3-9(15)7-11(12)16/h1-7H,16H2,(H2,17,18,19)
InChIKeyAGFZNMIOJKFXBZ-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'}

Analyze 1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-4-fluorophenyl)carbamic acid
CID 22318019
N-(2-amino-4-fluorophenyl)acetamide;ethane
CID 178102337
1-(4-aminophenyl)-3-(2-fluoro-4-methylphenyl)urea
CID 43469069
1-(4-chlorophenyl)-3-(4-fluoro-2-iodophenyl)urea
CID 79766072
1-(3-amino-5-fluorophenyl)-3-(2,4-difluorophenyl)urea
CID 107334345
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
2-amino-4-fluoro-N-(4-fluorophenyl)benzamide
CID 62059687
1-(4-bromo-2,5-difluorophenyl)-3-(4-fluorophenyl)urea
CID 107612564
1-(4-fluorophenyl)-3-(2,4,5-trichlorophenyl)urea
CID 3251975
1-[4-amino-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea
CID 16777157
[4-[(2,4-difluorophenyl)carbamoylamino]phenyl] sulfamate
CID 70694601
N-(2-amino-4-fluorophenyl)-3-oxobutanamide
CID 110477415

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea?
The IUPAC name of 1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea (CID 16777898) is 1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea is Nc1cc(F)ccc1NC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea?
The InChIKey is AGFZNMIOJKFXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c14-8-1-4-10(5-2-8)17-13(19)18-12-6-3-9(15)7-11(12)16/h1-7H,16H2,(H2,17,18,19).
What are the key properties of 1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea?
1-(2-amino-4-fluorophenyl)-3-(4-fluorophenyl)urea 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-fluorophenyl)-3-(4-fluorophenyl)urea is sourced from PubChem (CID 16777898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).