1-(3-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea

C17H19FN2O2 — CID 111450262

IUPAC1-(3-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
SMILESO=C(Nc1cccc(F)c1)NC(CCCO)c1ccccc1
InChIInChI=1S/C17H19FN2O2/c18-14-8-4-9-15(12-14)19-17(22)20-16(10-5-11-21)13-6-2-1-3-7-13/h1-4,6-9,12,16,21H,5,10-11H2,(H2,19,20,22)
InChIKeyRWMAMXKWRSRLMD-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.46
Rot. Bonds6

About 1-(3-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea

1-(3-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea (PubChem CID 111450262) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
PubChem CID111450262
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name1-(3-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
SMILESO=C(Nc1cccc(F)c1)NC(CCCO)c1ccccc1
InChIInChI=1S/C17H19FN2O2/c18-14-8-4-9-15(12-14)19-17(22)20-16(10-5-11-21)13-6-2-1-3-7-13/h1-4,6-9,12,16,21H,5,10-11H2,(H2,19,20,22)
InChIKeyRWMAMXKWRSRLMD-UHFFFAOYSA-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-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111452920
1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea
CID 111450235
1-(2,4-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111450259
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
N-(3-fluorophenyl)-N'-(2-hydroxy-1-phenylethyl)oxamide
CID 111798119
1-(4-hydroxy-1-phenylbutyl)-3-(1-methyl-2-oxo-4-pyridinyl)urea
CID 126820410
1-(3-bromophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452513
N-(3-chlorophenyl)-N'-(4-hydroxy-1-phenylbutyl)oxamide
CID 111799086
1-(4-chloro-2-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111452677
1-(4-ethoxy-3-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111453271
1-(4-hydroxy-1-phenylbutyl)-3-(3-methyl-1,2-benzoxazol-6-yl)urea
CID 127267207
1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111454816

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea?
The IUPAC name of 1-(3-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea (CID 111450262) is 1-(3-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea is O=C(Nc1cccc(F)c1)NC(CCCO)c1ccccc1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea?
The InChIKey is RWMAMXKWRSRLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c18-14-8-4-9-15(12-14)19-17(22)20-16(10-5-11-21)13-6-2-1-3-7-13/h1-4,6-9,12,16,21H,5,10-11H2,(H2,19,20,22).
What are the key properties of 1-(3-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea?
1-(3-fluorophenyl)-3-(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-(3-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea is sourced from PubChem (CID 111450262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).