1-(4-fluorophenyl)-3-[(1S)-4-hydroxy-1-phenylbutyl]urea

C17H19FN2O2 — CID 95635534

IUPAC1-(4-fluorophenyl)-3-[(1S)-4-hydroxy-1-phenylbutyl]urea
SMILESO=C(Nc1ccc(F)cc1)N[C@@H](CCCO)c1ccccc1
InChIInChI=1S/C17H19FN2O2/c18-14-8-10-15(11-9-14)19-17(22)20-16(7-4-12-21)13-5-2-1-3-6-13/h1-3,5-6,8-11,16,21H,4,7,12H2,(H2,19,20,22)/t16-/m0/s1
InChIKeyCOXBVNQMSDENRJ-INIZCTEOSA-N
MW302.35 g/mol
LogP3.46
Rot. Bonds6

About 1-(4-fluorophenyl)-3-[(1S)-4-hydroxy-1-phenylbutyl]urea

1-(4-fluorophenyl)-3-[(1S)-4-hydroxy-1-phenylbutyl]urea (PubChem CID 95635534) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(1S)-4-hydroxy-1-phenylbutyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(1S)-4-hydroxy-1-phenylbutyl]urea
PubChem CID95635534
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name1-(4-fluorophenyl)-3-[(1S)-4-hydroxy-1-phenylbutyl]urea
SMILESO=C(Nc1ccc(F)cc1)N[C@@H](CCCO)c1ccccc1
InChIInChI=1S/C17H19FN2O2/c18-14-8-10-15(11-9-14)19-17(22)20-16(7-4-12-21)13-5-2-1-3-6-13/h1-3,5-6,8-11,16,21H,4,7,12H2,(H2,19,20,22)/t16-/m0/s1
InChIKeyCOXBVNQMSDENRJ-INIZCTEOSA-N
XLogP3.46
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.46
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
Urea, N-(2-chloroethyl)-N'-[3-(5-hydroxypentyl)phenyl]-
CID 11616185
N-(2-Chloroethyl)-N'-[3-(6-hydroxyhexyl)phenyl]urea
CID 45268968
N-(2-Chloroethyl)-N'-[3-(4-hydroxybutyl)phenyl]urea
CID 45272381
Urea, 17b
CID 44263412
1-[2-(4-Fluoro-phenyl)-ethyl]-3-phenyl-urea
CID 808392
N-(2,4-Difluorophenyl)-N'-(4-phenylbutyl)urea
CID 24818673
1-(3-Fluorophenyl)-3-(4-phenylbutyl)urea
CID 24819619
1-Benzyl-3-phenyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 4586304
5-Hydroxy-1,4-diphenylimidazolidin-2-one
CID 13109368

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[(1S)-4-hydroxy-1-phenylbutyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[(1S)-4-hydroxy-1-phenylbutyl]urea (CID 95635534) is 1-(4-fluorophenyl)-3-[(1S)-4-hydroxy-1-phenylbutyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(1S)-4-hydroxy-1-phenylbutyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(1S)-4-hydroxy-1-phenylbutyl]urea is O=C(Nc1ccc(F)cc1)N[C@@H](CCCO)c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(1S)-4-hydroxy-1-phenylbutyl]urea?
The InChIKey is COXBVNQMSDENRJ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19FN2O2/c18-14-8-10-15(11-9-14)19-17(22)20-16(7-4-12-21)13-5-2-1-3-6-13/h1-3,5-6,8-11,16,21H,4,7,12H2,(H2,19,20,22)/t16-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-3-[(1S)-4-hydroxy-1-phenylbutyl]urea?
1-(4-fluorophenyl)-3-[(1S)-4-hydroxy-1-phenylbutyl]urea has a molecular weight of 302.35 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[(1S)-4-hydroxy-1-phenylbutyl]urea is sourced from PubChem (CID 95635534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).