2,6-difluoro-N,4-dimethyl-N-propan-2-ylbenzamide

C12H15F2NO — CID 174277483

IUPAC2,6-difluoro-N,4-dimethyl-N-propan-2-ylbenzamide
SMILESCc1cc(F)c(C(=O)N(C)C(C)C)c(F)c1
InChIInChI=1S/C12H15F2NO/c1-7(2)15(4)12(16)11-9(13)5-8(3)6-10(11)14/h5-7H,1-4H3
InChIKeyFAFCQIJRFHZKLD-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.75
Rot. Bonds2

About 2,6-difluoro-N,4-dimethyl-N-propan-2-ylbenzamide

2,6-difluoro-N,4-dimethyl-N-propan-2-ylbenzamide (PubChem CID 174277483) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 2,6-difluoro-N,4-dimethyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-N,4-dimethyl-N-propan-2-ylbenzamide
PubChem CID174277483
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name2,6-difluoro-N,4-dimethyl-N-propan-2-ylbenzamide
SMILESCc1cc(F)c(C(=O)N(C)C(C)C)c(F)c1
InChIInChI=1S/C12H15F2NO/c1-7(2)15(4)12(16)11-9(13)5-8(3)6-10(11)14/h5-7H,1-4H3
InChIKeyFAFCQIJRFHZKLD-UHFFFAOYSA-N
XLogP2.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-difluoro-4-methylbenzoate
CID 86307703
N-butan-2-yl-2-fluoro-N,4-dimethylbenzamide
CID 79778554
3,5-difluoro-4-hydrazinyl-N-methyl-N-propan-2-ylbenzamide
CID 63186596
N,3-dimethyl-N-propan-2-ylbenzamide
CID 91322011
2-[methyl-(2,4,6-trifluorobenzoyl)amino]butanoic acid
CID 65101524
2-[(2,6-difluorobenzoyl)-methylamino]propanoic acid
CID 62627432
4-(difluoromethoxy)-2,6-difluoro-N-[(2S)-1-hydroxypropan-2-yl]-N-methylbenzamide
CID 99854772
4-(ethylamino)-3,5-difluoro-N-methyl-N-propan-2-ylbenzamide
CID 63187051
N-ethyl-2-fluoro-4-methyl-N-propan-2-ylbenzamide
CID 79776951
2,6-difluoro-4-[methyl(propan-2-yl)amino]benzoic acid
CID 147174153
2,6-difluoro-4-methylphenol;rutherfordium
CID 59884291
3-amino-1-(2-fluoro-4,6-dimethylphenyl)-2-methylpropan-1-one
CID 106883011

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N,4-dimethyl-N-propan-2-ylbenzamide?
The IUPAC name of 2,6-difluoro-N,4-dimethyl-N-propan-2-ylbenzamide (CID 174277483) is 2,6-difluoro-N,4-dimethyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 2,6-difluoro-N,4-dimethyl-N-propan-2-ylbenzamide?
The canonical SMILES for 2,6-difluoro-N,4-dimethyl-N-propan-2-ylbenzamide is Cc1cc(F)c(C(=O)N(C)C(C)C)c(F)c1.
What is the InChIKey of 2,6-difluoro-N,4-dimethyl-N-propan-2-ylbenzamide?
The InChIKey is FAFCQIJRFHZKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-7(2)15(4)12(16)11-9(13)5-8(3)6-10(11)14/h5-7H,1-4H3.
What are the key properties of 2,6-difluoro-N,4-dimethyl-N-propan-2-ylbenzamide?
2,6-difluoro-N,4-dimethyl-N-propan-2-ylbenzamide has a molecular weight of 227.25 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N,4-dimethyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 174277483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).