N-(4-ethylphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide

C13H17F3N2O — CID 79260660

IUPACN-(4-ethylphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCc1ccc(N(C)C(=O)CNCC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O/c1-3-10-4-6-11(7-5-10)18(2)12(19)8-17-9-13(14,15)16/h4-7,17H,3,8-9H2,1-2H3
InChIKeyYVNGKSXMDVPNMN-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.36
Rot. Bonds5

About N-(4-ethylphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide

N-(4-ethylphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79260660) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79260660
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-(4-ethylphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCc1ccc(N(C)C(=O)CNCC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O/c1-3-10-4-6-11(7-5-10)18(2)12(19)8-17-9-13(14,15)16/h4-7,17H,3,8-9H2,1-2H3
InChIKeyYVNGKSXMDVPNMN-UHFFFAOYSA-N
XLogP2.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(4-ethylphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide (CID 79260660) is N-(4-ethylphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(4-ethylphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide is CCc1ccc(N(C)C(=O)CNCC(F)(F)F)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is YVNGKSXMDVPNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-3-10-4-6-11(7-5-10)18(2)12(19)8-17-9-13(14,15)16/h4-7,17H,3,8-9H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
N-(4-ethylphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 274.29 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79260660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).