1-(3-fluorophenyl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea

C16H17FN2O2 — CID 3810759

IUPAC1-(3-fluorophenyl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea
SMILESO=C(Nc1cccc(F)c1)NC(CO)Cc1ccccc1
InChIInChI=1S/C16H17FN2O2/c17-13-7-4-8-14(10-13)18-16(21)19-15(11-20)9-12-5-2-1-3-6-12/h1-8,10,15,20H,9,11H2,(H2,18,19,21)
InChIKeyQLZIJOADHWSFQB-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.55
Rot. Bonds5

About 1-(3-fluorophenyl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea

1-(3-fluorophenyl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea (PubChem CID 3810759) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea
PubChem CID3810759
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name1-(3-fluorophenyl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea
SMILESO=C(Nc1cccc(F)c1)NC(CO)Cc1ccccc1
InChIInChI=1S/C16H17FN2O2/c17-13-7-4-8-14(10-13)18-16(21)19-15(11-20)9-12-5-2-1-3-6-12/h1-8,10,15,20H,9,11H2,(H2,18,19,21)
InChIKeyQLZIJOADHWSFQB-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-Fluorobenzyl)-3-phenylurea
CID 896691
1-(4-Fluorophenyl)-3-(4-phenylbutyl)urea
CID 24818667
1-Phenyl-3-(3-phenylpropyl)urea
CID 280361
1-(2-Hydroxycyclohexyl)-3-(naphthalen-1-yl)urea
CID 3700152
Urea, N-(2-chloroethyl)-N'-[3-(5-hydroxypentyl)phenyl]-
CID 11616185
(1S,2R)-1-(3-fluorophenyl)-1-(methyl(phenyl)amino)-3-(methylamino)propan-2-ol
CID 24764464
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-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
5-Fluoro-3-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-1-propyl-1,3-dihydro-2H-benzimidazol-2-one
CID 44254675

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
The IUPAC name of 1-(3-fluorophenyl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea (CID 3810759) is 1-(3-fluorophenyl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea is O=C(Nc1cccc(F)c1)NC(CO)Cc1ccccc1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
The InChIKey is QLZIJOADHWSFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-13-7-4-8-14(10-13)18-16(21)19-15(11-20)9-12-5-2-1-3-6-12/h1-8,10,15,20H,9,11H2,(H2,18,19,21).
What are the key properties of 1-(3-fluorophenyl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea?
1-(3-fluorophenyl)-3-(1-hydroxy-3-phenylpropan-2-yl)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-(3-fluorophenyl)-3-(1-hydroxy-3-phenylpropan-2-yl)urea is sourced from PubChem (CID 3810759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).