1-(4-fluoro-3-nitrophenyl)-3-(3-fluorophenyl)urea

C13H9F2N3O3 — CID 4189707

IUPAC1-(4-fluoro-3-nitrophenyl)-3-(3-fluorophenyl)urea
SMILESO=C(Nc1cccc(F)c1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C13H9F2N3O3/c14-8-2-1-3-9(6-8)16-13(19)17-10-4-5-11(15)12(7-10)18(20)21/h1-7H,(H2,16,17,19)
InChIKeyKIBBHFHHZFUFRA-UHFFFAOYSA-N
MW293.23 g/mol
LogP3.52
Rot. Bonds3

About 1-(4-fluoro-3-nitrophenyl)-3-(3-fluorophenyl)urea

1-(4-fluoro-3-nitrophenyl)-3-(3-fluorophenyl)urea (PubChem CID 4189707) has the molecular formula C13H9F2N3O3 and a molecular weight of 293.23 g/mol. Its IUPAC name is 1-(4-fluoro-3-nitrophenyl)-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-(4-fluoro-3-nitrophenyl)-3-(3-fluorophenyl)urea
PubChem CID4189707
Molecular FormulaC13H9F2N3O3
Molecular Weight293.23 g/mol
Exact Mass293.06
IUPAC Name1-(4-fluoro-3-nitrophenyl)-3-(3-fluorophenyl)urea
SMILESO=C(Nc1cccc(F)c1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C13H9F2N3O3/c14-8-2-1-3-9(6-8)16-13(19)17-10-4-5-11(15)12(7-10)18(20)21/h1-7H,(H2,16,17,19)
InChIKeyKIBBHFHHZFUFRA-UHFFFAOYSA-N
XLogP3.52
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-fluoro-3-nitrophenyl)-3-(3-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

1-(3-fluorophenyl)-3-[3-[(3-fluorophenyl)carbamoylamino]-4-nitrophenyl]urea
CID 4142280
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
2,5-difluoro-N-(3-fluorophenyl)-4-nitrobenzamide
CID 115736115
1-(3-amino-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 54910981
1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 108893983
3-[(3-bromobenzoyl)amino]-N-(4-fluoro-3-nitrophenyl)benzamide
CID 112832453
1-cyclopentyl-3-(4-fluoro-3-nitrophenyl)urea
CID 107812710
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
N-(4-fluoro-3-nitrophenyl)prop-2-enamide
CID 43422996
N-(4-fluoro-3-nitrophenyl)-2-(4-fluorophenyl)acetamide
CID 797948
1-(3-fluorophenyl)-3-(4-sulfanylphenyl)urea
CID 43836137
N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide
CID 108513374

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-nitrophenyl)-3-(3-fluorophenyl)urea?
The IUPAC name of 1-(4-fluoro-3-nitrophenyl)-3-(3-fluorophenyl)urea (CID 4189707) is 1-(4-fluoro-3-nitrophenyl)-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-(4-fluoro-3-nitrophenyl)-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-(4-fluoro-3-nitrophenyl)-3-(3-fluorophenyl)urea is O=C(Nc1cccc(F)c1)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(4-fluoro-3-nitrophenyl)-3-(3-fluorophenyl)urea?
The InChIKey is KIBBHFHHZFUFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O3/c14-8-2-1-3-9(6-8)16-13(19)17-10-4-5-11(15)12(7-10)18(20)21/h1-7H,(H2,16,17,19).
What are the key properties of 1-(4-fluoro-3-nitrophenyl)-3-(3-fluorophenyl)urea?
1-(4-fluoro-3-nitrophenyl)-3-(3-fluorophenyl)urea has a molecular weight of 293.23 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-nitrophenyl)-3-(3-fluorophenyl)urea is sourced from PubChem (CID 4189707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).