1-(4-fluorophenyl)-3-[3-(3-pyrrolidin-1-ylphenyl)phenyl]urea

C23H22FN3O — CID 162662588

IUPAC1-(4-fluorophenyl)-3-[3-(3-pyrrolidin-1-ylphenyl)phenyl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1cccc(-c2cccc(N3CCCC3)c2)c1
InChIInChI=1S/C23H22FN3O/c24-19-9-11-20(12-10-19)25-23(28)26-21-7-3-5-17(15-21)18-6-4-8-22(16-18)27-13-1-2-14-27/h3-12,15-16H,1-2,13-14H2,(H2,25,26,28)
InChIKeyXPMYPNMHGHYVTK-UHFFFAOYSA-N
MW375.45 g/mol
LogP5.74
Rot. Bonds4

About 1-(4-fluorophenyl)-3-[3-(3-pyrrolidin-1-ylphenyl)phenyl]urea

1-(4-fluorophenyl)-3-[3-(3-pyrrolidin-1-ylphenyl)phenyl]urea (PubChem CID 162662588) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[3-(3-pyrrolidin-1-ylphenyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[3-(3-pyrrolidin-1-ylphenyl)phenyl]urea
PubChem CID162662588
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name1-(4-fluorophenyl)-3-[3-(3-pyrrolidin-1-ylphenyl)phenyl]urea
SMILESO=C(Nc1ccc(F)cc1)Nc1cccc(-c2cccc(N3CCCC3)c2)c1
InChIInChI=1S/C23H22FN3O/c24-19-9-11-20(12-10-19)25-23(28)26-21-7-3-5-17(15-21)18-6-4-8-22(16-18)27-13-1-2-14-27/h3-12,15-16H,1-2,13-14H2,(H2,25,26,28)
InChIKeyXPMYPNMHGHYVTK-UHFFFAOYSA-N
XLogP5.74
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.45
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluorophenyl)-3-[3-(3-pyrrolidin-1-ylphenyl)phenyl]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-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-piperidin-1-ylphenyl)urea
CID 86837879
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038
1-[(3-fluorophenyl)methyl]-3-(3-piperidin-1-ylphenyl)urea
CID 86837430
N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 60928576
1-(3-fluorophenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 6467171
1-(4-piperidin-1-ylphenyl)-3-(3-sulfamoylphenyl)urea
CID 71896243
1-(2,5-difluorophenyl)-3-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43991730
2-[(4-fluorophenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55815022
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(3,4-difluorophenyl)urea
CID 43991412
methyl N-(3-piperidin-1-ylphenyl)carbamate
CID 110362130
(3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 26396271
N-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide
CID 110295195

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[3-(3-pyrrolidin-1-ylphenyl)phenyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[3-(3-pyrrolidin-1-ylphenyl)phenyl]urea (CID 162662588) is 1-(4-fluorophenyl)-3-[3-(3-pyrrolidin-1-ylphenyl)phenyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[3-(3-pyrrolidin-1-ylphenyl)phenyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[3-(3-pyrrolidin-1-ylphenyl)phenyl]urea is O=C(Nc1ccc(F)cc1)Nc1cccc(-c2cccc(N3CCCC3)c2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[3-(3-pyrrolidin-1-ylphenyl)phenyl]urea?
The InChIKey is XPMYPNMHGHYVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c24-19-9-11-20(12-10-19)25-23(28)26-21-7-3-5-17(15-21)18-6-4-8-22(16-18)27-13-1-2-14-27/h3-12,15-16H,1-2,13-14H2,(H2,25,26,28).
What are the key properties of 1-(4-fluorophenyl)-3-[3-(3-pyrrolidin-1-ylphenyl)phenyl]urea?
1-(4-fluorophenyl)-3-[3-(3-pyrrolidin-1-ylphenyl)phenyl]urea has a molecular weight of 375.45 g/mol, XLogP of 5.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[3-(3-pyrrolidin-1-ylphenyl)phenyl]urea is sourced from PubChem (CID 162662588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).