2,2,3,3-tetrafluoro-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide

C12H12F4N2O3 — CID 103732751

IUPAC2,2,3,3-tetrafluoro-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide
SMILESCNC(=O)COc1cccc(NC(=O)C(F)(F)C(F)F)c1
InChIInChI=1S/C12H12F4N2O3/c1-17-9(19)6-21-8-4-2-3-7(5-8)18-11(20)12(15,16)10(13)14/h2-5,10H,6H2,1H3,(H,17,19)(H,18,20)
InChIKeyQLDXDJSHCBUJLS-UHFFFAOYSA-N
MW308.23 g/mol
LogP1.65
Rot. Bonds6

About 2,2,3,3-tetrafluoro-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide

2,2,3,3-tetrafluoro-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide (PubChem CID 103732751) has the molecular formula C12H12F4N2O3 and a molecular weight of 308.23 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide
PubChem CID103732751
Molecular FormulaC12H12F4N2O3
Molecular Weight308.23 g/mol
Exact Mass308.08
IUPAC Name2,2,3,3-tetrafluoro-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide
SMILESCNC(=O)COc1cccc(NC(=O)C(F)(F)C(F)F)c1
InChIInChI=1S/C12H12F4N2O3/c1-17-9(19)6-21-8-4-2-3-7(5-8)18-11(20)12(15,16)10(13)14/h2-5,10H,6H2,1H3,(H,17,19)(H,18,20)
InChIKeyQLDXDJSHCBUJLS-UHFFFAOYSA-N
XLogP1.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.23
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 43705402
2-bromo-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]butanamide
CID 62855576
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]pyridine-4-carboxamide
CID 34273229
2-(butan-2-ylamino)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 60852115
3,5-dimethoxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide
CID 38737983
2-[3-(butylcarbamoylamino)phenoxy]-N-methylacetamide
CID 47202622
N-methyl-2-[3-(2-methylbutylamino)phenoxy]acetamide
CID 43693352
N-methyl-2-[3-(octylamino)phenoxy]acetamide
CID 43693355
2-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenoxy]-N-methylacetamide
CID 43693342
3-hydroxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]pyridine-2-carboxamide
CID 51105835
N-methyl-2-[3-(1-pyridin-4-ylethylamino)phenoxy]acetamide
CID 43693413
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide (CID 103732751) is 2,2,3,3-tetrafluoro-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide is CNC(=O)COc1cccc(NC(=O)C(F)(F)C(F)F)c1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide?
The InChIKey is QLDXDJSHCBUJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4N2O3/c1-17-9(19)6-21-8-4-2-3-7(5-8)18-11(20)12(15,16)10(13)14/h2-5,10H,6H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 2,2,3,3-tetrafluoro-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide?
2,2,3,3-tetrafluoro-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide has a molecular weight of 308.23 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide is sourced from PubChem (CID 103732751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).