2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide

C18H19F2NO2 — CID 71810728

IUPAC2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide
SMILESCCC(CNC(=O)c1c(F)cccc1F)(OC)c1ccccc1
InChIInChI=1S/C18H19F2NO2/c1-3-18(23-2,13-8-5-4-6-9-13)12-21-17(22)16-14(19)10-7-11-15(16)20/h4-11H,3,12H2,1-2H3,(H,21,22)
InChIKeyRKKYALPNKLVVIK-UHFFFAOYSA-N
MW319.35 g/mol
LogP3.65
Rot. Bonds6

About 2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide

2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide (PubChem CID 71810728) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is 2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide
PubChem CID71810728
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC Name2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide
SMILESCCC(CNC(=O)c1c(F)cccc1F)(OC)c1ccccc1
InChIInChI=1S/C18H19F2NO2/c1-3-18(23-2,13-8-5-4-6-9-13)12-21-17(22)16-14(19)10-7-11-15(16)20/h4-11H,3,12H2,1-2H3,(H,21,22)
InChIKeyRKKYALPNKLVVIK-UHFFFAOYSA-N
XLogP3.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-3-(2-methoxy-2-phenylbutyl)urea
CID 90599796
N-[(2S)-2-methoxy-2-phenylbutyl]naphthalene-1-carboxamide
CID 97428577
2-chloro-4-fluoro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599502
2,4-dichloro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599532
2-ethoxy-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599488
N-(2-methoxy-2-phenylbutyl)-4-phenoxybenzamide
CID 90599562
N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599769
N-(2-methoxy-2-phenylbutyl)-1-benzofuran-2-carboxamide
CID 90599483
2,4-dimethoxy-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599515
N-[(4-fluorophenyl)methyl]-N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599726
N-benzyl-N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599704
N-(2-methoxy-2-phenylbutyl)cyclopropanecarboxamide
CID 71810719

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide?
The IUPAC name of 2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide (CID 71810728) is 2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide is CCC(CNC(=O)c1c(F)cccc1F)(OC)c1ccccc1.
What is the InChIKey of 2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide?
The InChIKey is RKKYALPNKLVVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO2/c1-3-18(23-2,13-8-5-4-6-9-13)12-21-17(22)16-14(19)10-7-11-15(16)20/h4-11H,3,12H2,1-2H3,(H,21,22).
What are the key properties of 2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide?
2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide has a molecular weight of 319.35 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide is sourced from PubChem (CID 71810728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).