1-(2,6-difluorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea

C18H20F2N2O2 — CID 99872945

IUPAC1-(2,6-difluorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea
SMILESO=C(NCC[C@@H](CCO)c1ccccc1)Nc1c(F)cccc1F
InChIInChI=1S/C18H20F2N2O2/c19-15-7-4-8-16(20)17(15)22-18(24)21-11-9-14(10-12-23)13-5-2-1-3-6-13/h1-8,14,23H,9-12H2,(H2,21,22,24)/t14-/m0/s1
InChIKeyZDPSTAFUPCBQIS-AWEZNQCLSA-N
MW334.37 g/mol
LogP3.64
Rot. Bonds7

About 1-(2,6-difluorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea

1-(2,6-difluorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea (PubChem CID 99872945) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea
PubChem CID99872945
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name1-(2,6-difluorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea
SMILESO=C(NCC[C@@H](CCO)c1ccccc1)Nc1c(F)cccc1F
InChIInChI=1S/C18H20F2N2O2/c19-15-7-4-8-16(20)17(15)22-18(24)21-11-9-14(10-12-23)13-5-2-1-3-6-13/h1-8,14,23H,9-12H2,(H2,21,22,24)/t14-/m0/s1
InChIKeyZDPSTAFUPCBQIS-AWEZNQCLSA-N
XLogP3.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-difluorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]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-(2,6-difluorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea (CID 99872945) is 1-(2,6-difluorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea is O=C(NCC[C@@H](CCO)c1ccccc1)Nc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea?
The InChIKey is ZDPSTAFUPCBQIS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c19-15-7-4-8-16(20)17(15)22-18(24)21-11-9-14(10-12-23)13-5-2-1-3-6-13/h1-8,14,23H,9-12H2,(H2,21,22,24)/t14-/m0/s1.
What are the key properties of 1-(2,6-difluorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea?
1-(2,6-difluorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea has a molecular weight of 334.37 g/mol, XLogP of 3.64, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-[(3S)-5-hydroxy-3-phenylpentyl]urea is sourced from PubChem (CID 99872945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).