1-(3,4-difluorophenyl)-3-(2-hydroxy-4-nitrophenyl)urea

C13H9F2N3O4 — CID 46226805

IUPAC1-(3,4-difluorophenyl)-3-(2-hydroxy-4-nitrophenyl)urea
SMILESO=C(Nc1ccc(F)c(F)c1)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C13H9F2N3O4/c14-9-3-1-7(5-10(9)15)16-13(20)17-11-4-2-8(18(21)22)6-12(11)19/h1-6,19H,(H2,16,17,20)
InChIKeyBTDULWMVDJUWBE-UHFFFAOYSA-N
MW309.23 g/mol
LogP3.22
Rot. Bonds3

About 1-(3,4-difluorophenyl)-3-(2-hydroxy-4-nitrophenyl)urea

1-(3,4-difluorophenyl)-3-(2-hydroxy-4-nitrophenyl)urea (PubChem CID 46226805) has the molecular formula C13H9F2N3O4 and a molecular weight of 309.23 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-(2-hydroxy-4-nitrophenyl)urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-(2-hydroxy-4-nitrophenyl)urea
PubChem CID46226805
Molecular FormulaC13H9F2N3O4
Molecular Weight309.23 g/mol
Exact Mass309.06
IUPAC Name1-(3,4-difluorophenyl)-3-(2-hydroxy-4-nitrophenyl)urea
SMILESO=C(Nc1ccc(F)c(F)c1)Nc1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C13H9F2N3O4/c14-9-3-1-7(5-10(9)15)16-13(20)17-11-4-2-8(18(21)22)6-12(11)19/h1-6,19H,(H2,16,17,20)
InChIKeyBTDULWMVDJUWBE-UHFFFAOYSA-N
XLogP3.22
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3,4-difluorophenyl)-3-(2-hydroxy-4-nitrophenyl)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-(2-fluoro-4-nitrophenyl)-3-(4-sulfamoylphenyl)urea
CID 141330135
1-(2-hydroxy-4-nitrophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 157365653
1-(2-ethylphenyl)-3-(2-hydroxy-4-nitrophenyl)urea
CID 21184795
1-cyclopropyl-3-(2-hydroxy-4-nitrophenyl)urea
CID 107745859
N-[(2-hydroxy-4-nitrophenyl)carbamoyl]-2-methylpropanamide
CID 70210043
2,4-difluoro-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 108808620
N-[2-[(2-hydroxy-4-nitrophenyl)carbamoylamino]phenyl]benzamide
CID 21184645
(2R)-2,3,3,3-tetrafluoro-N-(2-hydroxy-4-nitrophenyl)propanamide
CID 7285095
4-amino-3-fluoro-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107744277
1-(2-chloro-4,5-difluorophenyl)-3-[4-(4-nitrophenyl)sulfonylphenyl]urea
CID 4591955
1-(2-hydroxy-4-nitrophenyl)-3-(2-propylphenyl)urea
CID 46196416
1-(2-hydroxy-4-nitrophenyl)-3-(2-methylsulfanyloxyphenyl)urea
CID 57185381

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-(2-hydroxy-4-nitrophenyl)urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-(2-hydroxy-4-nitrophenyl)urea (CID 46226805) is 1-(3,4-difluorophenyl)-3-(2-hydroxy-4-nitrophenyl)urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-(2-hydroxy-4-nitrophenyl)urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-(2-hydroxy-4-nitrophenyl)urea is O=C(Nc1ccc(F)c(F)c1)Nc1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-(2-hydroxy-4-nitrophenyl)urea?
The InChIKey is BTDULWMVDJUWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O4/c14-9-3-1-7(5-10(9)15)16-13(20)17-11-4-2-8(18(21)22)6-12(11)19/h1-6,19H,(H2,16,17,20).
What are the key properties of 1-(3,4-difluorophenyl)-3-(2-hydroxy-4-nitrophenyl)urea?
1-(3,4-difluorophenyl)-3-(2-hydroxy-4-nitrophenyl)urea has a molecular weight of 309.23 g/mol, XLogP of 3.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-(2-hydroxy-4-nitrophenyl)urea is sourced from PubChem (CID 46226805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).