1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea

C17H18F2N2O2 — CID 111452920

IUPAC1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
SMILESO=C(Nc1cc(F)cc(F)c1)NC(CCCO)c1ccccc1
InChIInChI=1S/C17H18F2N2O2/c18-13-9-14(19)11-15(10-13)20-17(23)21-16(7-4-8-22)12-5-2-1-3-6-12/h1-3,5-6,9-11,16,22H,4,7-8H2,(H2,20,21,23)
InChIKeyVAPIUHQZAKXDIN-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.60
Rot. Bonds6

About 1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea

1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea (PubChem CID 111452920) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
PubChem CID111452920
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
SMILESO=C(Nc1cc(F)cc(F)c1)NC(CCCO)c1ccccc1
InChIInChI=1S/C17H18F2N2O2/c18-13-9-14(19)11-15(10-13)20-17(23)21-16(7-4-8-22)12-5-2-1-3-6-12/h1-3,5-6,9-11,16,22H,4,7-8H2,(H2,20,21,23)
InChIKeyVAPIUHQZAKXDIN-UHFFFAOYSA-N
XLogP3.60
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111450262
1-(2,4-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111450259
1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea
CID 111450235
1-(4-chloro-2-fluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111452677
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
1-(4-hydroxy-1-phenylbutyl)-3-(1-methyl-2-oxo-4-pyridinyl)urea
CID 126820410
1-(2-hydroxy-1-phenylethyl)-3-(3,4,5-trifluorophenyl)urea
CID 111458987
1-(4-ethoxy-3-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111453271
1-(4-hydroxy-1-phenylbutyl)-3-(5-methylthiophen-2-yl)urea
CID 111486785
1-[1-(3,4-difluorophenyl)ethyl]-3-(4-hydroxy-1-phenylbutyl)urea
CID 111453817
1-(4-hydroxy-1-phenylbutyl)-3-(3-methyl-1,2-benzoxazol-6-yl)urea
CID 127267207
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
CID 111450296

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea?
The IUPAC name of 1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea (CID 111452920) is 1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea is O=C(Nc1cc(F)cc(F)c1)NC(CCCO)c1ccccc1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea?
The InChIKey is VAPIUHQZAKXDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c18-13-9-14(19)11-15(10-13)20-17(23)21-16(7-4-8-22)12-5-2-1-3-6-12/h1-3,5-6,9-11,16,22H,4,7-8H2,(H2,20,21,23).
What are the key properties of 1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea?
1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea has a molecular weight of 320.34 g/mol, XLogP of 3.60, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea is sourced from PubChem (CID 111452920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).