N-(3,4-difluorophenyl)-3,3-dimethylbutanamide

C12H15F2NO — CID 842282

IUPACN-(3,4-difluorophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NO/c1-12(2,3)7-11(16)15-8-4-5-9(13)10(14)6-8/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyMSSNRORGNFHXEU-UHFFFAOYSA-N
MW227.25 g/mol
LogP3.34
Rot. Bonds2

About N-(3,4-difluorophenyl)-3,3-dimethylbutanamide

N-(3,4-difluorophenyl)-3,3-dimethylbutanamide (PubChem CID 842282) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3,3-dimethylbutanamide
PubChem CID842282
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC NameN-(3,4-difluorophenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H15F2NO/c1-12(2,3)7-11(16)15-8-4-5-9(13)10(14)6-8/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyMSSNRORGNFHXEU-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 65434100
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N-(4-ethoxy-3-fluorophenyl)-3,3-dimethylbutanamide
CID 110777393
N-(3,4-difluorophenyl)propanamide
CID 4285365
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
4-(3,3-dimethylbutanoylamino)-2,6-difluorobenzoic acid
CID 114217265
N,N'-bis(3,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108970184
2-amino-N-(3,4-difluorophenyl)acetamide
CID 2410802
N-(3,4-difluorophenyl)-3-(3,3-dimethylbutanoylamino)-1-benzofuran-2-carboxamide
CID 7501898
2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide
CID 9098972
1-tert-butyl-3-(3,4-difluorophenyl)urea
CID 78786872
N-(3,4-difluorophenyl)-N'-propan-2-ylpropanediamide
CID 108940959

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(3,4-difluorophenyl)-3,3-dimethylbutanamide (CID 842282) is N-(3,4-difluorophenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-3,3-dimethylbutanamide?
The InChIKey is MSSNRORGNFHXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-12(2,3)7-11(16)15-8-4-5-9(13)10(14)6-8/h4-6H,7H2,1-3H3,(H,15,16).
What are the key properties of N-(3,4-difluorophenyl)-3,3-dimethylbutanamide?
N-(3,4-difluorophenyl)-3,3-dimethylbutanamide has a molecular weight of 227.25 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 842282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).