2-[3-(difluoromethoxy)phenyl]-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide

C19H20F3NO2 — CID 86971523

IUPAC2-[3-(difluoromethoxy)phenyl]-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide
SMILESCC(C)(CNC(=O)Cc1cccc(OC(F)F)c1)c1cccc(F)c1
InChIInChI=1S/C19H20F3NO2/c1-19(2,14-6-4-7-15(20)11-14)12-23-17(24)10-13-5-3-8-16(9-13)25-18(21)22/h3-9,11,18H,10,12H2,1-2H3,(H,23,24)
InChIKeySGEQLYUPAPNARQ-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.06
Rot. Bonds7

About 2-[3-(difluoromethoxy)phenyl]-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide

2-[3-(difluoromethoxy)phenyl]-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide (PubChem CID 86971523) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)phenyl]-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)phenyl]-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide
PubChem CID86971523
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name2-[3-(difluoromethoxy)phenyl]-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide
SMILESCC(C)(CNC(=O)Cc1cccc(OC(F)F)c1)c1cccc(F)c1
InChIInChI=1S/C19H20F3NO2/c1-19(2,14-6-4-7-15(20)11-14)12-23-17(24)10-13-5-3-8-16(9-13)25-18(21)22/h3-9,11,18H,10,12H2,1-2H3,(H,23,24)
InChIKeySGEQLYUPAPNARQ-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(difluoromethoxy)phenyl]-N-(2-hydroxy-2-phenylpropyl)acetamide
CID 111334767
2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 113090470
2-(4-aminophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide
CID 119796104
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(methylamino)acetamide
CID 115152192
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide
CID 115154464
N-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide
CID 115194299
[2-(3-fluorophenyl)-2-methylpropyl]urea
CID 115168840
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-fluorophenyl)acetamide
CID 42961600
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-hydroxy-2-methylpropanamide
CID 115179051
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide
CID 115186794
(2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide
CID 119330600
N-(2-amino-2-methylpropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119626689

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)phenyl]-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide?
The IUPAC name of 2-[3-(difluoromethoxy)phenyl]-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide (CID 86971523) is 2-[3-(difluoromethoxy)phenyl]-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-[3-(difluoromethoxy)phenyl]-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-[3-(difluoromethoxy)phenyl]-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide is CC(C)(CNC(=O)Cc1cccc(OC(F)F)c1)c1cccc(F)c1.
What is the InChIKey of 2-[3-(difluoromethoxy)phenyl]-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide?
The InChIKey is SGEQLYUPAPNARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-19(2,14-6-4-7-15(20)11-14)12-23-17(24)10-13-5-3-8-16(9-13)25-18(21)22/h3-9,11,18H,10,12H2,1-2H3,(H,23,24).
What are the key properties of 2-[3-(difluoromethoxy)phenyl]-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide?
2-[3-(difluoromethoxy)phenyl]-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide has a molecular weight of 351.37 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)phenyl]-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 86971523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).