N-ethyl-2,2,3,3-tetrafluoro-N-[(3-methylphenyl)methyl]propanamide

C13H15F4NO — CID 103732620

IUPACN-ethyl-2,2,3,3-tetrafluoro-N-[(3-methylphenyl)methyl]propanamide
SMILESCCN(Cc1cccc(C)c1)C(=O)C(F)(F)C(F)F
InChIInChI=1S/C13H15F4NO/c1-3-18(12(19)13(16,17)11(14)15)8-10-6-4-5-9(2)7-10/h4-7,11H,3,8H2,1-2H3
InChIKeyOKENODOIYDDWEV-UHFFFAOYSA-N
MW277.26 g/mol
LogP3.24
Rot. Bonds5

About N-ethyl-2,2,3,3-tetrafluoro-N-[(3-methylphenyl)methyl]propanamide

N-ethyl-2,2,3,3-tetrafluoro-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 103732620) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is N-ethyl-2,2,3,3-tetrafluoro-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-ethyl-2,2,3,3-tetrafluoro-N-[(3-methylphenyl)methyl]propanamide
PubChem CID103732620
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC NameN-ethyl-2,2,3,3-tetrafluoro-N-[(3-methylphenyl)methyl]propanamide
SMILESCCN(Cc1cccc(C)c1)C(=O)C(F)(F)C(F)F
InChIInChI=1S/C13H15F4NO/c1-3-18(12(19)13(16,17)11(14)15)8-10-6-4-5-9(2)7-10/h4-7,11H,3,8H2,1-2H3
InChIKeyOKENODOIYDDWEV-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-cyclopropyl-N-ethyl-N-[(3-methylphenyl)methyl]propanamide
CID 54870952
2,2,3,3-tetrafluoro-N-[(4-methylphenyl)methyl]-N-propylpropanamide
CID 103732461
(2S)-2-amino-N-ethyl-3-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 61173742
2,2,2-trifluoro-N-(3-methylphenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 10946730
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939211
N-ethyl-N-[(3-hydroxyphenyl)methyl]-2,2-dimethylpropanamide
CID 84820781
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66010420
4-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopent-2-ene-1-carboxamide
CID 79210719
1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 115448036
N,N-diethyl-3-(3-methylphenyl)propanamide
CID 60701900
2,4-dibromo-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 107952088
2-(2-aminoethoxy)-N-ethyl-N-[(3-methylphenyl)methyl]acetamide
CID 79472813

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,3,3-tetrafluoro-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of N-ethyl-2,2,3,3-tetrafluoro-N-[(3-methylphenyl)methyl]propanamide (CID 103732620) is N-ethyl-2,2,3,3-tetrafluoro-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for N-ethyl-2,2,3,3-tetrafluoro-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for N-ethyl-2,2,3,3-tetrafluoro-N-[(3-methylphenyl)methyl]propanamide is CCN(Cc1cccc(C)c1)C(=O)C(F)(F)C(F)F.
What is the InChIKey of N-ethyl-2,2,3,3-tetrafluoro-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is OKENODOIYDDWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO/c1-3-18(12(19)13(16,17)11(14)15)8-10-6-4-5-9(2)7-10/h4-7,11H,3,8H2,1-2H3.
What are the key properties of N-ethyl-2,2,3,3-tetrafluoro-N-[(3-methylphenyl)methyl]propanamide?
N-ethyl-2,2,3,3-tetrafluoro-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 277.26 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,3,3-tetrafluoro-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 103732620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).