N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide

C18H19F3N2O2 — CID 46426415

IUPACN-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)c1
InChIInChI=1S/C18H19F3N2O2/c1-12-5-4-6-14(9-12)25-11-17(24)22-16-8-7-13(23(2)3)10-15(16)18(19,20)21/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyUUALERSWCAYXDX-UHFFFAOYSA-N
MW352.36 g/mol
LogP4.10
Rot. Bonds5

About N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide

N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide (PubChem CID 46426415) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide
PubChem CID46426415
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC NameN-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)c1
InChIInChI=1S/C18H19F3N2O2/c1-12-5-4-6-14(9-12)25-11-17(24)22-16-8-7-13(23(2)3)10-15(16)18(19,20)21/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyUUALERSWCAYXDX-UHFFFAOYSA-N
XLogP4.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
CID 110673431
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 747189
2-[ethyl-[2-(3-methylphenoxy)acetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9095232
N-(2-fluorophenyl)-2-(3-methylphenoxy)acetamide
CID 723312
N-(2-ethoxy-4-methylphenyl)-2-(3-methylphenoxy)acetamide
CID 87027069
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
2-(4-bromophenyl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]acetamide
CID 46426398
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 1321750
2-(3,4-dimethylphenoxy)-N-[4-iodo-2-(trifluoromethyl)phenyl]acetamide
CID 3360136
2-(3,5-dimethoxyphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7713877
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
N-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenoxy)acetamide
CID 26209437

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide (CID 46426415) is N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)c1.
What is the InChIKey of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is UUALERSWCAYXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-12-5-4-6-14(9-12)25-11-17(24)22-16-8-7-13(23(2)3)10-15(16)18(19,20)21/h4-10H,11H2,1-3H3,(H,22,24).
What are the key properties of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide?
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 352.36 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 46426415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).