1-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)urea

C13H12FN3O — CID 808376

IUPAC1-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)urea
SMILESCc1cccnc1NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H12FN3O/c1-9-4-3-7-15-12(9)17-13(18)16-11-6-2-5-10(14)8-11/h2-8H,1H3,(H2,15,16,17,18)
InChIKeyBGUMETSARUZVNJ-UHFFFAOYSA-N
MW245.26 g/mol
LogP3.17
Rot. Bonds2

About 1-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)urea

1-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)urea (PubChem CID 808376) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)urea
PubChem CID808376
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name1-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)urea
SMILESCc1cccnc1NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H12FN3O/c1-9-4-3-7-15-12(9)17-13(18)16-11-6-2-5-10(14)8-11/h2-8H,1H3,(H2,15,16,17,18)
InChIKeyBGUMETSARUZVNJ-UHFFFAOYSA-N
XLogP3.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)urea (CID 808376) is 1-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)urea is Cc1cccnc1NC(=O)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)urea?
The InChIKey is BGUMETSARUZVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c1-9-4-3-7-15-12(9)17-13(18)16-11-6-2-5-10(14)8-11/h2-8H,1H3,(H2,15,16,17,18).
What are the key properties of 1-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)urea?
1-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)urea has a molecular weight of 245.26 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)urea is sourced from PubChem (CID 808376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).