1-(2,4-difluorophenyl)-3-(2-nitroanilino)urea

C13H10F2N4O3 — CID 4799085

IUPAC1-(2,4-difluorophenyl)-3-(2-nitroanilino)urea
SMILESO=C(NNc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1F
InChIInChI=1S/C13H10F2N4O3/c14-8-5-6-10(9(15)7-8)16-13(20)18-17-11-3-1-2-4-12(11)19(21)22/h1-7,17H,(H2,16,18,20)
InChIKeyWVLNTYTWIPYFIH-UHFFFAOYSA-N
MW308.24 g/mol
LogP3.02
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-(2-nitroanilino)urea

1-(2,4-difluorophenyl)-3-(2-nitroanilino)urea (PubChem CID 4799085) has the molecular formula C13H10F2N4O3 and a molecular weight of 308.24 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(2-nitroanilino)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(2-nitroanilino)urea
PubChem CID4799085
Molecular FormulaC13H10F2N4O3
Molecular Weight308.24 g/mol
Exact Mass308.07
IUPAC Name1-(2,4-difluorophenyl)-3-(2-nitroanilino)urea
SMILESO=C(NNc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1F
InChIInChI=1S/C13H10F2N4O3/c14-8-5-6-10(9(15)7-8)16-13(20)18-17-11-3-1-2-4-12(11)19(21)22/h1-7,17H,(H2,16,18,20)
InChIKeyWVLNTYTWIPYFIH-UHFFFAOYSA-N
XLogP3.02
TPSA96.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2,4-difluorophenyl)-3-(2-nitroanilino)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-(2,4-dinitrophenyl)-N-(4-fluorophenyl)hydrazinecarbothioamide
CID 4369988
Hydrazinecarboxamide, 2-(4-nitrophenyl)-N-phenyl-
CID 3488029
N-(4-fluorophenyl)-2-(4-nitrophenyl)hydrazinecarbothioamide
CID 3127155
1-(2-Nitroanilino)-3-phenylurea
CID 3370491
1-Cyclohexyl-3-(2-nitroanilino)urea
CID 4137702
1-Anilino-3-(2-fluorophenyl)urea
CID 4825618
1-(3-Chlorophenyl)-3-(2-nitroanilino)urea
CID 4082636
1-(4-Fluorophenyl)-3-(2-nitroanilino)urea
CID 4639127
1,3-Bis(2-nitrophenyl)urea
CID 241638
1-(2-Fluorophenyl)-3-(2-nitrophenyl)urea
CID 2956796
1-(2-Nitroanilino)-3-[3-(trifluoromethyl)phenyl]urea
CID 4407535
Benzene, 1-[[[2-(4-nitrophenyl)hydrazino]carbonyl]amino]-2-(trifluoromethyl)-
CID 4068412

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(2-nitroanilino)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(2-nitroanilino)urea (CID 4799085) is 1-(2,4-difluorophenyl)-3-(2-nitroanilino)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(2-nitroanilino)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(2-nitroanilino)urea is O=C(NNc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(2-nitroanilino)urea?
The InChIKey is WVLNTYTWIPYFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4O3/c14-8-5-6-10(9(15)7-8)16-13(20)18-17-11-3-1-2-4-12(11)19(21)22/h1-7,17H,(H2,16,18,20).
What are the key properties of 1-(2,4-difluorophenyl)-3-(2-nitroanilino)urea?
1-(2,4-difluorophenyl)-3-(2-nitroanilino)urea has a molecular weight of 308.24 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(2-nitroanilino)urea is sourced from PubChem (CID 4799085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).