1-(2,6-difluorophenyl)-3-(2-methoxy-2-phenylbutyl)urea

C18H20F2N2O2 — CID 90599796

IUPAC1-(2,6-difluorophenyl)-3-(2-methoxy-2-phenylbutyl)urea
SMILESCCC(CNC(=O)Nc1c(F)cccc1F)(OC)c1ccccc1
InChIInChI=1S/C18H20F2N2O2/c1-3-18(24-2,13-8-5-4-6-9-13)12-21-17(23)22-16-14(19)10-7-11-15(16)20/h4-11H,3,12H2,1-2H3,(H2,21,22,23)
InChIKeyJFQLCGAYMXVKQJ-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.04
Rot. Bonds6

About 1-(2,6-difluorophenyl)-3-(2-methoxy-2-phenylbutyl)urea

1-(2,6-difluorophenyl)-3-(2-methoxy-2-phenylbutyl)urea (PubChem CID 90599796) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-(2-methoxy-2-phenylbutyl)urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-(2-methoxy-2-phenylbutyl)urea
PubChem CID90599796
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name1-(2,6-difluorophenyl)-3-(2-methoxy-2-phenylbutyl)urea
SMILESCCC(CNC(=O)Nc1c(F)cccc1F)(OC)c1ccccc1
InChIInChI=1S/C18H20F2N2O2/c1-3-18(24-2,13-8-5-4-6-9-13)12-21-17(23)22-16-14(19)10-7-11-15(16)20/h4-11H,3,12H2,1-2H3,(H2,21,22,23)
InChIKeyJFQLCGAYMXVKQJ-UHFFFAOYSA-N
XLogP4.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 71810728
1-(2-methoxy-2-phenylbutyl)-3-(2-methylphenyl)urea
CID 71810787
N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599769
N-[(4-fluorophenyl)methyl]-N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599726
N-(2-methoxy-2-phenylbutyl)cyclopropanecarboxamide
CID 71810719
2-ethoxy-N-[(2S)-2-methoxy-2-phenylbutyl]acetamide
CID 97428557
N-benzyl-N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599704
N-[(2S)-2-methoxy-2-phenylbutyl]naphthalene-1-carboxamide
CID 97428577
N-[(2R)-2-methoxy-2-phenylbutyl]-N'-(3-methylphenyl)oxamide
CID 97428674
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxy-2-phenylbutyl)urea
CID 90599815
2-chloro-4-fluoro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599502
1-(2,6-difluorophenyl)-3-propylurea
CID 21161249

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-(2-methoxy-2-phenylbutyl)urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-(2-methoxy-2-phenylbutyl)urea (CID 90599796) is 1-(2,6-difluorophenyl)-3-(2-methoxy-2-phenylbutyl)urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-(2-methoxy-2-phenylbutyl)urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-(2-methoxy-2-phenylbutyl)urea is CCC(CNC(=O)Nc1c(F)cccc1F)(OC)c1ccccc1.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-(2-methoxy-2-phenylbutyl)urea?
The InChIKey is JFQLCGAYMXVKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-3-18(24-2,13-8-5-4-6-9-13)12-21-17(23)22-16-14(19)10-7-11-15(16)20/h4-11H,3,12H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-(2,6-difluorophenyl)-3-(2-methoxy-2-phenylbutyl)urea?
1-(2,6-difluorophenyl)-3-(2-methoxy-2-phenylbutyl)urea has a molecular weight of 334.37 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-(2-methoxy-2-phenylbutyl)urea is sourced from PubChem (CID 90599796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).