2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylquinolin-4-yl)propanamide

C14H14F3N3O — CID 79789951

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylquinolin-4-yl)propanamide
SMILESCc1cc(NC(=O)C(C)(N)C(F)(F)F)c2ccccc2n1
InChIInChI=1S/C14H14F3N3O/c1-8-7-11(9-5-3-4-6-10(9)19-8)20-12(21)13(2,18)14(15,16)17/h3-7H,18H2,1-2H3,(H,19,20,21)
InChIKeyCXHWHDUUFGHLHN-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.76
Rot. Bonds2

About 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylquinolin-4-yl)propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylquinolin-4-yl)propanamide (PubChem CID 79789951) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylquinolin-4-yl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylquinolin-4-yl)propanamide
PubChem CID79789951
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylquinolin-4-yl)propanamide
SMILESCc1cc(NC(=O)C(C)(N)C(F)(F)F)c2ccccc2n1
InChIInChI=1S/C14H14F3N3O/c1-8-7-11(9-5-3-4-6-10(9)19-8)20-12(21)13(2,18)14(15,16)17/h3-7H,18H2,1-2H3,(H,19,20,21)
InChIKeyCXHWHDUUFGHLHN-UHFFFAOYSA-N
XLogP2.76
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylquinolin-4-yl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylquinolin-4-yl)propanamide (CID 79789951) is 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylquinolin-4-yl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylquinolin-4-yl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylquinolin-4-yl)propanamide is Cc1cc(NC(=O)C(C)(N)C(F)(F)F)c2ccccc2n1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylquinolin-4-yl)propanamide?
The InChIKey is CXHWHDUUFGHLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-8-7-11(9-5-3-4-6-10(9)19-8)20-12(21)13(2,18)14(15,16)17/h3-7H,18H2,1-2H3,(H,19,20,21).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylquinolin-4-yl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylquinolin-4-yl)propanamide has a molecular weight of 297.28 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-(2-methylquinolin-4-yl)propanamide is sourced from PubChem (CID 79789951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).