N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethylpropanamide

C13H17F2NO3 — CID 64593385

IUPACN-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(OC(F)F)c(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C13H17F2NO3/c1-13(2,3)11(17)16-9-7-8(18-4)5-6-10(9)19-12(14)15/h5-7,12H,1-4H3,(H,16,17)
InChIKeyINZARYGBEQFAGQ-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.28
Rot. Bonds4

About N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethylpropanamide

N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethylpropanamide (PubChem CID 64593385) has the molecular formula C13H17F2NO3 and a molecular weight of 273.28 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethylpropanamide
PubChem CID64593385
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC NameN-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(OC(F)F)c(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C13H17F2NO3/c1-13(2,3)11(17)16-9-7-8(18-4)5-6-10(9)19-12(14)15/h5-7,12H,1-4H3,(H,16,17)
InChIKeyINZARYGBEQFAGQ-UHFFFAOYSA-N
XLogP3.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3,3-dimethylbutanamide
CID 103928752
2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]propanamide
CID 107903735
2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]butanamide
CID 62856668
2-bromo-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-methylbutanamide
CID 43698620
N-[2-(difluoromethoxy)-5-methoxyphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119715086
N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-4-carboxamide
CID 43706019
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
5-[2-(difluoromethoxy)-5-methoxyanilino]-5-oxopentanoic acid
CID 60940435
2-[4-(difluoromethoxy)anilino]-N-(2,5-dimethoxyphenyl)acetamide
CID 36585879
3-[2-(difluoromethoxy)-5-methoxyanilino]-2,2-dimethylpropan-1-ol
CID 81412021
2-(cyclopropylamino)-N-[2-(difluoromethoxy)-5-methoxyphenyl]acetamide
CID 60841268
N-(2,5-dimethoxyphenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969408

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethylpropanamide (CID 64593385) is N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethylpropanamide is COc1ccc(OC(F)F)c(NC(=O)C(C)(C)C)c1.
What is the InChIKey of N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethylpropanamide?
The InChIKey is INZARYGBEQFAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3/c1-13(2,3)11(17)16-9-7-8(18-4)5-6-10(9)19-12(14)15/h5-7,12H,1-4H3,(H,16,17).
What are the key properties of N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethylpropanamide?
N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethylpropanamide has a molecular weight of 273.28 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 64593385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).