1-[2-(4-fluorophenyl)propan-2-yl]-3-pyridin-4-ylurea

C15H16FN3O — CID 110469738

IUPAC1-[2-(4-fluorophenyl)propan-2-yl]-3-pyridin-4-ylurea
SMILESCC(C)(NC(=O)Nc1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C15H16FN3O/c1-15(2,11-3-5-12(16)6-4-11)19-14(20)18-13-7-9-17-10-8-13/h3-10H,1-2H3,(H2,17,18,19,20)
InChIKeyBYHDIDCOLSVBBY-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.28
Rot. Bonds3

About 1-[2-(4-fluorophenyl)propan-2-yl]-3-pyridin-4-ylurea

1-[2-(4-fluorophenyl)propan-2-yl]-3-pyridin-4-ylurea (PubChem CID 110469738) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)propan-2-yl]-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)propan-2-yl]-3-pyridin-4-ylurea
PubChem CID110469738
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name1-[2-(4-fluorophenyl)propan-2-yl]-3-pyridin-4-ylurea
SMILESCC(C)(NC(=O)Nc1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C15H16FN3O/c1-15(2,11-3-5-12(16)6-4-11)19-14(20)18-13-7-9-17-10-8-13/h3-10H,1-2H3,(H2,17,18,19,20)
InChIKeyBYHDIDCOLSVBBY-UHFFFAOYSA-N
XLogP3.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2-(4-fluorophenyl)propan-2-yl]-3-pyridin-4-ylurea 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-bis(2-pyridin-4-ylpropan-2-yl)urea
CID 4120557
1-[2-(4-fluorophenyl)propan-2-yl]-3-(3,4,5-trimethoxyphenyl)urea
CID 113216229
1-(2,4-difluorophenyl)-3-[2-(4-fluorophenyl)propan-2-yl]urea
CID 113216228
1-[2-(1,3-benzodioxol-5-yl)propan-2-yl]-3-(4-fluorophenyl)urea
CID 47087353
N-[4-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide
CID 113216358
4-(4-fluorophenyl)-N-pyridin-4-ylbenzamide
CID 135137810
1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216514
1-cyclopentyl-3-[2-(4-fluorophenyl)propan-2-yl]urea
CID 110469730
N-(4-fluorophenyl)-2-pyridin-4-ylacetamide
CID 110697317
N-[2-(4-fluorophenyl)propan-2-yl]-3-oxobutanamide
CID 110470666
1-cycloheptyl-3-[2-(4-fluorophenyl)propan-2-yl]urea
CID 113216151
N-[2-(4-fluorophenyl)propan-2-yl]pyrazole-1-carboxamide
CID 110469721

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)propan-2-yl]-3-pyridin-4-ylurea?
The IUPAC name of 1-[2-(4-fluorophenyl)propan-2-yl]-3-pyridin-4-ylurea (CID 110469738) is 1-[2-(4-fluorophenyl)propan-2-yl]-3-pyridin-4-ylurea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)propan-2-yl]-3-pyridin-4-ylurea?
The canonical SMILES for 1-[2-(4-fluorophenyl)propan-2-yl]-3-pyridin-4-ylurea is CC(C)(NC(=O)Nc1ccncc1)c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)propan-2-yl]-3-pyridin-4-ylurea?
The InChIKey is BYHDIDCOLSVBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-15(2,11-3-5-12(16)6-4-11)19-14(20)18-13-7-9-17-10-8-13/h3-10H,1-2H3,(H2,17,18,19,20).
What are the key properties of 1-[2-(4-fluorophenyl)propan-2-yl]-3-pyridin-4-ylurea?
1-[2-(4-fluorophenyl)propan-2-yl]-3-pyridin-4-ylurea has a molecular weight of 273.31 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)propan-2-yl]-3-pyridin-4-ylurea is sourced from PubChem (CID 110469738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).