1-[3-(1,1-difluoroethyl)phenyl]-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea

C28H25F2N3O — CID 58920992

IUPAC1-[3-(1,1-difluoroethyl)phenyl]-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea
SMILESCC(F)(F)c1cccc(NC(=O)NC(Cc2ccccc2)(c2ccccc2)c2ccccn2)c1
InChIInChI=1S/C28H25F2N3O/c1-27(29,30)23-15-10-16-24(19-23)32-26(34)33-28(22-13-6-3-7-14-22,25-17-8-9-18-31-25)20-21-11-4-2-5-12-21/h2-19H,20H2,1H3,(H2,32,33,34)
InChIKeySOODORXPDZOHTK-UHFFFAOYSA-N
MW457.52 g/mol
LogP6.50
Rot. Bonds7

About 1-[3-(1,1-difluoroethyl)phenyl]-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea

1-[3-(1,1-difluoroethyl)phenyl]-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea (PubChem CID 58920992) has the molecular formula C28H25F2N3O and a molecular weight of 457.52 g/mol. Its IUPAC name is 1-[3-(1,1-difluoroethyl)phenyl]-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-[3-(1,1-difluoroethyl)phenyl]-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea
PubChem CID58920992
Molecular FormulaC28H25F2N3O
Molecular Weight457.52 g/mol
Exact Mass457.20
IUPAC Name1-[3-(1,1-difluoroethyl)phenyl]-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea
SMILESCC(F)(F)c1cccc(NC(=O)NC(Cc2ccccc2)(c2ccccc2)c2ccccn2)c1
InChIInChI=1S/C28H25F2N3O/c1-27(29,30)23-15-10-16-24(19-23)32-26(34)33-28(22-13-6-3-7-14-22,25-17-8-9-18-31-25)20-21-11-4-2-5-12-21/h2-19H,20H2,1H3,(H2,32,33,34)
InChIKeySOODORXPDZOHTK-UHFFFAOYSA-N
XLogP6.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.52
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[3-(1,1-difluoroethyl)phenyl]-3-(1,2-diphenyl-1-pyridin-2-ylethyl)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

methyl 3-[[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoylamino]benzoate
CID 58920993
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea
CID 143473588
1-(3,5-difluorophenyl)-3-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 58920853
1-(4-cyanophenyl)-3-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 58921600
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea;ethane
CID 143473684
1-(3-cyanophenyl)-3-[1-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 58920604
1-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 58919948
1-[1-(5-bromo-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-phenylurea
CID 58920809
1-cyclopentyl-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea
CID 58921712
1-(3-chloro-4-fluorophenyl)-3-[1-(4-methyl-2-pyridinyl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 58920811
2-cyclopentyl-N-[2-phenyl-1-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 58921043
1-[(1S)-1-(5-chloro-2-pyridinyl)-2-phenyl-1-[3-(3,3,3-trifluoropropyl)phenyl]ethyl]-3-phenylurea
CID 143473137

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,1-difluoroethyl)phenyl]-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea?
The IUPAC name of 1-[3-(1,1-difluoroethyl)phenyl]-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea (CID 58920992) is 1-[3-(1,1-difluoroethyl)phenyl]-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-[3-(1,1-difluoroethyl)phenyl]-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-[3-(1,1-difluoroethyl)phenyl]-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea is CC(F)(F)c1cccc(NC(=O)NC(Cc2ccccc2)(c2ccccc2)c2ccccn2)c1.
What is the InChIKey of 1-[3-(1,1-difluoroethyl)phenyl]-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea?
The InChIKey is SOODORXPDZOHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F2N3O/c1-27(29,30)23-15-10-16-24(19-23)32-26(34)33-28(22-13-6-3-7-14-22,25-17-8-9-18-31-25)20-21-11-4-2-5-12-21/h2-19H,20H2,1H3,(H2,32,33,34).
What are the key properties of 1-[3-(1,1-difluoroethyl)phenyl]-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea?
1-[3-(1,1-difluoroethyl)phenyl]-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea has a molecular weight of 457.52 g/mol, XLogP of 6.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,1-difluoroethyl)phenyl]-3-(1,2-diphenyl-1-pyridin-2-ylethyl)urea is sourced from PubChem (CID 58920992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).