3,3,3-trifluoro-N-methyl-N-(4-methylphenyl)propanamide

C11H12F3NO — CID 141436970

IUPAC3,3,3-trifluoro-N-methyl-N-(4-methylphenyl)propanamide
SMILESCc1ccc(N(C)C(=O)CC(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO/c1-8-3-5-9(6-4-8)15(2)10(16)7-11(12,13)14/h3-6H,7H2,1-2H3
InChIKeyPUMJALDKIGNYPP-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.91
Rot. Bonds2

About 3,3,3-trifluoro-N-methyl-N-(4-methylphenyl)propanamide

3,3,3-trifluoro-N-methyl-N-(4-methylphenyl)propanamide (PubChem CID 141436970) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methyl-N-(4-methylphenyl)propanamide
PubChem CID141436970
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name3,3,3-trifluoro-N-methyl-N-(4-methylphenyl)propanamide
SMILESCc1ccc(N(C)C(=O)CC(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO/c1-8-3-5-9(6-4-8)15(2)10(16)7-11(12,13)14/h3-6H,7H2,1-2H3
InChIKeyPUMJALDKIGNYPP-UHFFFAOYSA-N
XLogP2.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-aminophenyl)-3,3,3-trifluoro-N-methylpropanamide
CID 43114424
2-amino-N-methyl-N-(4-methylphenyl)acetamide
CID 22617441
N-(3,5-dibromophenyl)-3,3,3-trifluoro-N-methylpropanamide
CID 58340177
4-chloro-N-methyl-N-(4-methylphenyl)butanamide
CID 63308688
3-(diethylamino)-N-methyl-N-(4-methylphenyl)propanamide
CID 58662059
diethyl 2-[2-(N,4-dimethylanilino)-2-oxoethyl]propanedioate
CID 135071381
ethane;N-methyl-N-(4-methylphenyl)acetamide
CID 143974566
2-[4-(aminomethyl)phenyl]-N-methyl-N-(4-methylphenyl)acetamide
CID 63590516
bis(2,2,2-trifluoroethyl) 2-[(N,4-dimethylanilino)-methoxymethylidene]propanedioate
CID 10993676
N-methyl-N-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 21061007
2-[2-(2-methoxyethoxy)ethoxy]-N-methyl-N-(4-methylphenyl)acetamide
CID 143038199
2-amino-N-methyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 83538987

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methyl-N-(4-methylphenyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-methyl-N-(4-methylphenyl)propanamide (CID 141436970) is 3,3,3-trifluoro-N-methyl-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-methyl-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-methyl-N-(4-methylphenyl)propanamide is Cc1ccc(N(C)C(=O)CC(F)(F)F)cc1.
What is the InChIKey of 3,3,3-trifluoro-N-methyl-N-(4-methylphenyl)propanamide?
The InChIKey is PUMJALDKIGNYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-8-3-5-9(6-4-8)15(2)10(16)7-11(12,13)14/h3-6H,7H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N-methyl-N-(4-methylphenyl)propanamide?
3,3,3-trifluoro-N-methyl-N-(4-methylphenyl)propanamide has a molecular weight of 231.22 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methyl-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 141436970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).