1-(3-fluorophenyl)-3-(3-oxo-1H-2-benzofuran-5-yl)urea

C15H11FN2O3 — CID 808394

IUPAC1-(3-fluorophenyl)-3-(3-oxo-1H-2-benzofuran-5-yl)urea
SMILESO=C(Nc1cccc(F)c1)Nc1ccc2c(c1)C(=O)OC2
InChIInChI=1S/C15H11FN2O3/c16-10-2-1-3-11(6-10)17-15(20)18-12-5-4-9-8-21-14(19)13(9)7-12/h1-7H,8H2,(H2,17,18,20)
InChIKeyCZQHTZLGDIDIBB-UHFFFAOYSA-N
MW286.26 g/mol
LogP3.14
Rot. Bonds2

About 1-(3-fluorophenyl)-3-(3-oxo-1H-2-benzofuran-5-yl)urea

1-(3-fluorophenyl)-3-(3-oxo-1H-2-benzofuran-5-yl)urea (PubChem CID 808394) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(3-oxo-1H-2-benzofuran-5-yl)urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(3-oxo-1H-2-benzofuran-5-yl)urea
PubChem CID808394
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name1-(3-fluorophenyl)-3-(3-oxo-1H-2-benzofuran-5-yl)urea
SMILESO=C(Nc1cccc(F)c1)Nc1ccc2c(c1)C(=O)OC2
InChIInChI=1S/C15H11FN2O3/c16-10-2-1-3-11(6-10)17-15(20)18-12-5-4-9-8-21-14(19)13(9)7-12/h1-7H,8H2,(H2,17,18,20)
InChIKeyCZQHTZLGDIDIBB-UHFFFAOYSA-N
XLogP3.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluorophenyl)-3-(3-oxo-1H-2-benzofuran-5-yl)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-(3,5-difluorophenyl)-3-(3-oxo-1H-2-benzofuran-5-yl)thiourea
CID 25098029
1-(3-fluorophenyl)-3-(4-sulfanylphenyl)urea
CID 43836137
1-(3-fluorophenyl)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)urea
CID 54022788
1-(3-amino-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 54910981
1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 108893983
1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 727768
N-(3-oxo-1H-2-benzofuran-5-yl)-2-thiophen-2-ylacetamide
CID 566349
N-(3-oxo-1H-2-benzofuran-5-yl)methanesulfonamide
CID 738096
2-[1-[2-oxo-2-[(3-oxo-1H-2-benzofuran-5-yl)amino]ethyl]cyclohexyl]acetate
CID 6927801
1-(3-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 6467171
1-(3-fluorophenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
CID 53014308
(3-fluorophenyl)carbamic acid;hydrochloride
CID 70589934

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(3-oxo-1H-2-benzofuran-5-yl)urea?
The IUPAC name of 1-(3-fluorophenyl)-3-(3-oxo-1H-2-benzofuran-5-yl)urea (CID 808394) is 1-(3-fluorophenyl)-3-(3-oxo-1H-2-benzofuran-5-yl)urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(3-oxo-1H-2-benzofuran-5-yl)urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-(3-oxo-1H-2-benzofuran-5-yl)urea is O=C(Nc1cccc(F)c1)Nc1ccc2c(c1)C(=O)OC2.
What is the InChIKey of 1-(3-fluorophenyl)-3-(3-oxo-1H-2-benzofuran-5-yl)urea?
The InChIKey is CZQHTZLGDIDIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c16-10-2-1-3-11(6-10)17-15(20)18-12-5-4-9-8-21-14(19)13(9)7-12/h1-7H,8H2,(H2,17,18,20).
What are the key properties of 1-(3-fluorophenyl)-3-(3-oxo-1H-2-benzofuran-5-yl)urea?
1-(3-fluorophenyl)-3-(3-oxo-1H-2-benzofuran-5-yl)urea has a molecular weight of 286.26 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(3-oxo-1H-2-benzofuran-5-yl)urea is sourced from PubChem (CID 808394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).