5-methyl-2-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide

C12H14F4N2O — CID 106295577

IUPAC5-methyl-2-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESCNc1ccc(C)cc1C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C12H14F4N2O/c1-7-3-4-9(17-2)8(5-7)10(19)18-6-12(15,16)11(13)14/h3-5,11,17H,6H2,1-2H3,(H,18,19)
InChIKeyGWQCALNQQKZAKZ-UHFFFAOYSA-N
MW278.25 g/mol
LogP2.67
Rot. Bonds5

About 5-methyl-2-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide

5-methyl-2-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide (PubChem CID 106295577) has the molecular formula C12H14F4N2O and a molecular weight of 278.25 g/mol. Its IUPAC name is 5-methyl-2-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide.

Molecular Properties

Compound Name5-methyl-2-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide
PubChem CID106295577
Molecular FormulaC12H14F4N2O
Molecular Weight278.25 g/mol
Exact Mass278.10
IUPAC Name5-methyl-2-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESCNc1ccc(C)cc1C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C12H14F4N2O/c1-7-3-4-9(17-2)8(5-7)10(19)18-6-12(15,16)11(13)14/h3-5,11,17H,6H2,1-2H3,(H,18,19)
InChIKeyGWQCALNQQKZAKZ-UHFFFAOYSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 52.67
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

4-methyl-2-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295510
N-(2-ethoxy-2-methylpropyl)-5-methyl-2-(methylamino)benzamide
CID 114944072
5-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 106432898
2-hydrazinyl-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62509922
2-(3-hydroxyprop-1-ynyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295346
5-methyl-2-(methylamino)-N-(3-methylbutyl)benzamide
CID 55083223
5-methyl-2-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 62511070
4-hydroxy-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528791
4-fluoro-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528310
3-fluoro-2-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
CID 106295596
5-methyl-2-(methylamino)-N-[(2-methylphenyl)methyl]benzamide
CID 62509176
4-hydrazinyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295653

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The IUPAC name of 5-methyl-2-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide (CID 106295577) is 5-methyl-2-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide.
What is the SMILES notation for 5-methyl-2-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The canonical SMILES for 5-methyl-2-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide is CNc1ccc(C)cc1C(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 5-methyl-2-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The InChIKey is GWQCALNQQKZAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O/c1-7-3-4-9(17-2)8(5-7)10(19)18-6-12(15,16)11(13)14/h3-5,11,17H,6H2,1-2H3,(H,18,19).
What are the key properties of 5-methyl-2-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide?
5-methyl-2-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide has a molecular weight of 278.25 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide is sourced from PubChem (CID 106295577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).