N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide

C13H17F2NO — CID 60725238

IUPACN-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)C(C)(C)C
InChIInChI=1S/C13H17F2NO/c1-13(2,3)12(17)16(4)8-9-5-6-10(14)7-11(9)15/h5-7H,8H2,1-4H3
InChIKeyUUWPTXYZAAKZOU-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.97
Rot. Bonds2

About N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide

N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide (PubChem CID 60725238) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide
PubChem CID60725238
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)C(C)(C)C
InChIInChI=1S/C13H17F2NO/c1-13(2,3)12(17)16(4)8-9-5-6-10(14)7-11(9)15/h5-7H,8H2,1-4H3
InChIKeyUUWPTXYZAAKZOU-UHFFFAOYSA-N
XLogP2.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyano-N-[(2,4-difluorophenyl)methyl]-N,2-dimethylpropanamide
CID 115175159
N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide
CID 121446878
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929162
3-[(2,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 55049729
2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 107904260
ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60725198
N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 134046604
2-hydroxyethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 79345363
5-[(2,4-difluorophenyl)methyl-methylamino]-5-oxopentanoic acid
CID 54874892
2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 62072492
N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide
CID 134053299

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide (CID 60725238) is N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide is CN(Cc1ccc(F)cc1F)C(=O)C(C)(C)C.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide?
The InChIKey is UUWPTXYZAAKZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-13(2,3)12(17)16(4)8-9-5-6-10(14)7-11(9)15/h5-7H,8H2,1-4H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide?
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide has a molecular weight of 241.28 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 60725238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).