1-(4-fluorophenyl)-3-(2-hydroxy-3-phenylpropyl)urea

C16H17FN2O2 — CID 56765320

IUPAC1-(4-fluorophenyl)-3-(2-hydroxy-3-phenylpropyl)urea
SMILESO=C(NCC(O)Cc1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2/c17-13-6-8-14(9-7-13)19-16(21)18-11-15(20)10-12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H2,18,19,21)
InChIKeySULYZGKUENMTRS-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.55
Rot. Bonds5

About 1-(4-fluorophenyl)-3-(2-hydroxy-3-phenylpropyl)urea

1-(4-fluorophenyl)-3-(2-hydroxy-3-phenylpropyl)urea (PubChem CID 56765320) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-hydroxy-3-phenylpropyl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-hydroxy-3-phenylpropyl)urea
PubChem CID56765320
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name1-(4-fluorophenyl)-3-(2-hydroxy-3-phenylpropyl)urea
SMILESO=C(NCC(O)Cc1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2/c17-13-6-8-14(9-7-13)19-16(21)18-11-15(20)10-12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H2,18,19,21)
InChIKeySULYZGKUENMTRS-UHFFFAOYSA-N
XLogP2.55
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Fluorophenyl)-3-(4-phenylbutyl)urea
CID 24818667
3-[4-(Ethyl-phenyl-amino)-phenyl]-1-(2-hydroxy-1-methyl-2-phenyl-ethyl)-1-methyl-urea
CID 11732188
3-(4-benzylphenyl)-1-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-1-methylurea
CID 11760542
1-{2-[2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-ethyl]-phenyl}-3-(2,5-difluoro-phenyl)-urea
CID 11134412
(1S,2R)-1-(3-fluorophenyl)-1-(methyl(phenyl)amino)-3-(methylamino)propan-2-ol
CID 24764464
(R,S/S,R)-syn-1-(methyl(phenyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897268
1-Ethyl-4-fluoro-3-[(1S,2R)-2-hydroxy-3-(methylamino)-1-(3-fluorophenyl)-propyl]-1,3-dihydro-2H-benzimidazol-2-one
CID 25253703
1-[(1S,2R)-2-Hydroxy-3-(methylamino)-1-phenylpropyl]-3-methyl-1,3-dihydro-2H-benzimidazol-2-one
CID 25253914
1-Ethyl-5-fluoro-3-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-1,3-dihydro-2H-benzimidazol-2-one
CID 25253915
1-Ethyl-4-fluoro-3-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-1,3-dihydro-2H-benzimidazol-2-one
CID 25253916
4-Fluoro-3-[(1S,2R)-1-(3-fluorophenyl)-2-hydroxy-3-(methylamino)-propyl]-1-isopropyl-1,3-dihydro-2H-benzimidazol-2-one
CID 25253917
2H-Benzimidazol-2-one,1-ethyl-3-[(1S,2R)-1-(3-fluorophenyl)-2-hydroxy-3-(methylamino)propyl]-1,3-dihydro-
CID 44231252

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-hydroxy-3-phenylpropyl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-hydroxy-3-phenylpropyl)urea (CID 56765320) is 1-(4-fluorophenyl)-3-(2-hydroxy-3-phenylpropyl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-hydroxy-3-phenylpropyl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-hydroxy-3-phenylpropyl)urea is O=C(NCC(O)Cc1ccccc1)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-hydroxy-3-phenylpropyl)urea?
The InChIKey is SULYZGKUENMTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-13-6-8-14(9-7-13)19-16(21)18-11-15(20)10-12-4-2-1-3-5-12/h1-9,15,20H,10-11H2,(H2,18,19,21).
What are the key properties of 1-(4-fluorophenyl)-3-(2-hydroxy-3-phenylpropyl)urea?
1-(4-fluorophenyl)-3-(2-hydroxy-3-phenylpropyl)urea has a molecular weight of 288.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-hydroxy-3-phenylpropyl)urea is sourced from PubChem (CID 56765320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).