N-[2,2-difluoro-1-(4-methylphenyl)ethyl]propanamide

C12H15F2NO — CID 134986592

IUPACN-[2,2-difluoro-1-(4-methylphenyl)ethyl]propanamide
SMILESCCC(=O)NC(c1ccc(C)cc1)C(F)F
InChIInChI=1S/C12H15F2NO/c1-3-10(16)15-11(12(13)14)9-6-4-8(2)5-7-9/h4-7,11-12H,3H2,1-2H3,(H,15,16)
InChIKeyOQZSATSIZPDSEX-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.83
Rot. Bonds4

About N-[2,2-difluoro-1-(4-methylphenyl)ethyl]propanamide

N-[2,2-difluoro-1-(4-methylphenyl)ethyl]propanamide (PubChem CID 134986592) 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)ethyl]propanamide.

Molecular Properties

Compound NameN-[2,2-difluoro-1-(4-methylphenyl)ethyl]propanamide
PubChem CID134986592
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC NameN-[2,2-difluoro-1-(4-methylphenyl)ethyl]propanamide
SMILESCCC(=O)NC(c1ccc(C)cc1)C(F)F
InChIInChI=1S/C12H15F2NO/c1-3-10(16)15-11(12(13)14)9-6-4-8(2)5-7-9/h4-7,11-12H,3H2,1-2H3,(H,15,16)
InChIKeyOQZSATSIZPDSEX-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of N-[2,2-difluoro-1-(4-methylphenyl)ethyl]propanamide?
The IUPAC name of N-[2,2-difluoro-1-(4-methylphenyl)ethyl]propanamide (CID 134986592) is N-[2,2-difluoro-1-(4-methylphenyl)ethyl]propanamide.
What is the SMILES notation for N-[2,2-difluoro-1-(4-methylphenyl)ethyl]propanamide?
The canonical SMILES for N-[2,2-difluoro-1-(4-methylphenyl)ethyl]propanamide is CCC(=O)NC(c1ccc(C)cc1)C(F)F.
What is the InChIKey of N-[2,2-difluoro-1-(4-methylphenyl)ethyl]propanamide?
The InChIKey is OQZSATSIZPDSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-3-10(16)15-11(12(13)14)9-6-4-8(2)5-7-9/h4-7,11-12H,3H2,1-2H3,(H,15,16).
What are the key properties of N-[2,2-difluoro-1-(4-methylphenyl)ethyl]propanamide?
N-[2,2-difluoro-1-(4-methylphenyl)ethyl]propanamide has a molecular weight of 227.25 g/mol, XLogP of 2.83, 4 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)ethyl]propanamide is sourced from PubChem (CID 134986592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).