N-[2,2-difluoro-1-(4-methylphenyl)propyl]acetamide

C12H15F2NO — CID 134986431

IUPACN-[2,2-difluoro-1-(4-methylphenyl)propyl]acetamide
SMILESCC(=O)NC(c1ccc(C)cc1)C(C)(F)F
InChIInChI=1S/C12H15F2NO/c1-8-4-6-10(7-5-8)11(12(3,13)14)15-9(2)16/h4-7,11H,1-3H3,(H,15,16)
InChIKeyLDFTZORPTYBXAV-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.83
Rot. Bonds3

About N-[2,2-difluoro-1-(4-methylphenyl)propyl]acetamide

N-[2,2-difluoro-1-(4-methylphenyl)propyl]acetamide (PubChem CID 134986431) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is N-[2,2-difluoro-1-(4-methylphenyl)propyl]acetamide.

Molecular Properties

Compound NameN-[2,2-difluoro-1-(4-methylphenyl)propyl]acetamide
PubChem CID134986431
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC NameN-[2,2-difluoro-1-(4-methylphenyl)propyl]acetamide
SMILESCC(=O)NC(c1ccc(C)cc1)C(C)(F)F
InChIInChI=1S/C12H15F2NO/c1-8-4-6-10(7-5-8)11(12(3,13)14)15-9(2)16/h4-7,11H,1-3H3,(H,15,16)
InChIKeyLDFTZORPTYBXAV-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(1-Methyl-3-phenylpropyl)acetamide
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Get-73
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Frequently Asked Questions

What is the IUPAC name of N-[2,2-difluoro-1-(4-methylphenyl)propyl]acetamide?
The IUPAC name of N-[2,2-difluoro-1-(4-methylphenyl)propyl]acetamide (CID 134986431) is N-[2,2-difluoro-1-(4-methylphenyl)propyl]acetamide.
What is the SMILES notation for N-[2,2-difluoro-1-(4-methylphenyl)propyl]acetamide?
The canonical SMILES for N-[2,2-difluoro-1-(4-methylphenyl)propyl]acetamide is CC(=O)NC(c1ccc(C)cc1)C(C)(F)F.
What is the InChIKey of N-[2,2-difluoro-1-(4-methylphenyl)propyl]acetamide?
The InChIKey is LDFTZORPTYBXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-8-4-6-10(7-5-8)11(12(3,13)14)15-9(2)16/h4-7,11H,1-3H3,(H,15,16).
What are the key properties of N-[2,2-difluoro-1-(4-methylphenyl)propyl]acetamide?
N-[2,2-difluoro-1-(4-methylphenyl)propyl]acetamide has a molecular weight of 227.25 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-difluoro-1-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 134986431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).