1-(2,4-difluorophenyl)-3-(2-phenylbutyl)urea

C17H18F2N2O — CID 46647394

IUPAC1-(2,4-difluorophenyl)-3-(2-phenylbutyl)urea
SMILESCCC(CNC(=O)Nc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C17H18F2N2O/c1-2-12(13-6-4-3-5-7-13)11-20-17(22)21-16-9-8-14(18)10-15(16)19/h3-10,12H,2,11H2,1H3,(H2,20,21,22)
InChIKeyHDWMOWNUDYRCSJ-UHFFFAOYSA-N
MW304.34 g/mol
LogP4.28
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-(2-phenylbutyl)urea

1-(2,4-difluorophenyl)-3-(2-phenylbutyl)urea (PubChem CID 46647394) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(2-phenylbutyl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(2-phenylbutyl)urea
PubChem CID46647394
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC Name1-(2,4-difluorophenyl)-3-(2-phenylbutyl)urea
SMILESCCC(CNC(=O)Nc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C17H18F2N2O/c1-2-12(13-6-4-3-5-7-13)11-20-17(22)21-16-9-8-14(18)10-15(16)19/h3-10,12H,2,11H2,1H3,(H2,20,21,22)
InChIKeyHDWMOWNUDYRCSJ-UHFFFAOYSA-N
XLogP4.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2R)-2-(diethylamino)-2-phenylethyl]-3-(2,4-difluorophenyl)urea
CID 51579414
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
2,5-difluoro-N-[(2R)-2-phenylbutyl]benzamide
CID 26687345
1-(2-methoxyphenyl)-3-(2-phenylbutyl)urea
CID 46647393
1-(2,5-difluorophenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111452641
1-(4-fluoro-2-methoxyphenyl)-3-(4-hydroxy-2-phenylbutyl)urea
CID 111453003
(2S)-N-(2,4-difluorophenyl)-2-phenylpentanamide
CID 2547216
1-(2,4-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 46494085
methyl 3-[(2,4-difluorophenyl)carbamoylamino]-2-hydroxypropanoate
CID 103878987
1-(2,4-difluorophenyl)-3-pentan-3-ylurea
CID 6469007
2-bromo-4-fluoro-N-(2-phenylbutyl)benzamide
CID 55391050
1-(2,5-dimethoxyphenyl)-3-(2-phenylbutyl)urea
CID 47016124

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(2-phenylbutyl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(2-phenylbutyl)urea (CID 46647394) is 1-(2,4-difluorophenyl)-3-(2-phenylbutyl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(2-phenylbutyl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(2-phenylbutyl)urea is CCC(CNC(=O)Nc1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(2-phenylbutyl)urea?
The InChIKey is HDWMOWNUDYRCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O/c1-2-12(13-6-4-3-5-7-13)11-20-17(22)21-16-9-8-14(18)10-15(16)19/h3-10,12H,2,11H2,1H3,(H2,20,21,22).
What are the key properties of 1-(2,4-difluorophenyl)-3-(2-phenylbutyl)urea?
1-(2,4-difluorophenyl)-3-(2-phenylbutyl)urea has a molecular weight of 304.34 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(2-phenylbutyl)urea is sourced from PubChem (CID 46647394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).