N-methyl-N-[(3-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

C13H17F3N2O — CID 78958541

IUPACN-methyl-N-[(3-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1cccc(CN(C)C(=O)CNCC(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-10-4-3-5-11(6-10)8-18(2)12(19)7-17-9-13(14,15)16/h3-6,17H,7-9H2,1-2H3
InChIKeyGRRQJZQYIWSIHE-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.11
Rot. Bonds5

About N-methyl-N-[(3-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-methyl-N-[(3-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958541) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-methyl-N-[(3-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958541
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-methyl-N-[(3-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1cccc(CN(C)C(=O)CNCC(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-10-4-3-5-11(6-10)8-18(2)12(19)7-17-9-13(14,15)16/h3-6,17H,7-9H2,1-2H3
InChIKeyGRRQJZQYIWSIHE-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914952
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78960749
3-[methyl-[(3-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62230250
2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 82125717
N-(furan-3-ylmethyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957906
2-(butan-2-ylamino)-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 54870401
methyl 3-[methyl-[(3-methylphenyl)methyl]amino]-3-oxopropanoate
CID 115174419
2-(ethylamino)-N-methyl-N-[2-(3-methylphenyl)ethyl]acetamide
CID 115158122
3-[3-[[methyl(3,3,3-trifluoropropanoyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76907769
N-methyl-N-(4-phenylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958322
2-(1-aminocyclobutyl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 79854781
(E)-4-[methyl-[(3-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 54875189

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-methyl-N-[(3-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958541) is N-methyl-N-[(3-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-methyl-N-[(3-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-methyl-N-[(3-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is Cc1cccc(CN(C)C(=O)CNCC(F)(F)F)c1.
What is the InChIKey of N-methyl-N-[(3-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is GRRQJZQYIWSIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-10-4-3-5-11(6-10)8-18(2)12(19)7-17-9-13(14,15)16/h3-6,17H,7-9H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-methyl-N-[(3-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 274.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).