N-(3,3,3-trifluoro-2-methyl-1-phenylpropyl)acetamide

C12H14F3NO — CID 138974878

IUPACN-(3,3,3-trifluoro-2-methyl-1-phenylpropyl)acetamide
SMILESCC(=O)NC(c1ccccc1)C(C)C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-8(12(13,14)15)11(16-9(2)17)10-6-4-3-5-7-10/h3-8,11H,1-2H3,(H,16,17)
InChIKeyPBNQDTVDPVGVRE-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.06
Rot. Bonds3

About N-(3,3,3-trifluoro-2-methyl-1-phenylpropyl)acetamide

N-(3,3,3-trifluoro-2-methyl-1-phenylpropyl)acetamide (PubChem CID 138974878) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-methyl-1-phenylpropyl)acetamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-methyl-1-phenylpropyl)acetamide
PubChem CID138974878
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC NameN-(3,3,3-trifluoro-2-methyl-1-phenylpropyl)acetamide
SMILESCC(=O)NC(c1ccccc1)C(C)C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-8(12(13,14)15)11(16-9(2)17)10-6-4-3-5-7-10/h3-8,11H,1-2H3,(H,16,17)
InChIKeyPBNQDTVDPVGVRE-UHFFFAOYSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3,3,3-trifluoro-2-methyl-1-phenylpropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Melinamide
CID 20054967
N-(2-phenylethyl)acetamide
CID 70143
Acetylamphetamine
CID 26660
N-Benzylacrylamide
CID 139428
N-Benzylacetamide
CID 11500
N-(2-Phenylethyl)propanamide
CID 94894
N-(2-Phenylethyl)-isobutyramide
CID 290550
N-(1-Methyl-3-phenylpropyl)acetamide
CID 541808
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
N-(4-fluorobenzyl)pentanamide
CID 1741622
2-methyl-N-(3-phenylpropyl)propanamide
CID 2906692
(2E)-3-phenyl-N-(1-phenylethyl)prop-2-enamide
CID 5720182

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-methyl-1-phenylpropyl)acetamide?
The IUPAC name of N-(3,3,3-trifluoro-2-methyl-1-phenylpropyl)acetamide (CID 138974878) is N-(3,3,3-trifluoro-2-methyl-1-phenylpropyl)acetamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-methyl-1-phenylpropyl)acetamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-methyl-1-phenylpropyl)acetamide is CC(=O)NC(c1ccccc1)C(C)C(F)(F)F.
What is the InChIKey of N-(3,3,3-trifluoro-2-methyl-1-phenylpropyl)acetamide?
The InChIKey is PBNQDTVDPVGVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-8(12(13,14)15)11(16-9(2)17)10-6-4-3-5-7-10/h3-8,11H,1-2H3,(H,16,17).
What are the key properties of N-(3,3,3-trifluoro-2-methyl-1-phenylpropyl)acetamide?
N-(3,3,3-trifluoro-2-methyl-1-phenylpropyl)acetamide has a molecular weight of 245.24 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-methyl-1-phenylpropyl)acetamide is sourced from PubChem (CID 138974878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).