N-(3-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide

C12H14F4N2O — CID 106292026

IUPACN-(3-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide
SMILESCc1cccc(NC(=O)CNCC(F)(F)C(F)F)c1
InChIInChI=1S/C12H14F4N2O/c1-8-3-2-4-9(5-8)18-10(19)6-17-7-12(15,16)11(13)14/h2-5,11,17H,6-7H2,1H3,(H,18,19)
InChIKeyMMNOYJHYTAIYRI-UHFFFAOYSA-N
MW278.25 g/mol
LogP2.42
Rot. Bonds6

About N-(3-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide

N-(3-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide (PubChem CID 106292026) has the molecular formula C12H14F4N2O and a molecular weight of 278.25 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide
PubChem CID106292026
Molecular FormulaC12H14F4N2O
Molecular Weight278.25 g/mol
Exact Mass278.10
IUPAC NameN-(3-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide
SMILESCc1cccc(NC(=O)CNCC(F)(F)C(F)F)c1
InChIInChI=1S/C12H14F4N2O/c1-8-3-2-4-9(5-8)18-10(19)6-17-7-12(15,16)11(13)14/h2-5,11,17H,6-7H2,1H3,(H,18,19)
InChIKeyMMNOYJHYTAIYRI-UHFFFAOYSA-N
XLogP2.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(3-methylphenyl)acetamide
CID 28572661
N-(2-chlorophenyl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide
CID 106291849
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
N-[2-(3-methylanilino)-2-oxoethyl]-2-(2-methylpropylamino)acetamide
CID 3381858
2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide
CID 103820281
3-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 43553539
2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467219
2-(2-cyclopentylethylamino)-N-(3-methylphenyl)acetamide
CID 54932599
3-hydroxy-N-(3-methylphenyl)butanamide
CID 16769880
2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide
CID 2386923
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide
CID 103911929
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(3-methylphenyl)acetamide
CID 43389800

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide?
The IUPAC name of N-(3-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide (CID 106292026) is N-(3-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide is Cc1cccc(NC(=O)CNCC(F)(F)C(F)F)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide?
The InChIKey is MMNOYJHYTAIYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O/c1-8-3-2-4-9(5-8)18-10(19)6-17-7-12(15,16)11(13)14/h2-5,11,17H,6-7H2,1H3,(H,18,19).
What are the key properties of N-(3-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide?
N-(3-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide has a molecular weight of 278.25 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide is sourced from PubChem (CID 106292026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).