N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2,3,4-trifluoroanilino)acetamide

C17H17F3N2O2 — CID 86910650

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-2-(2,3,4-trifluoroanilino)acetamide
SMILESCOc1ccccc1CN(C)C(=O)CNc1ccc(F)c(F)c1F
InChIInChI=1S/C17H17F3N2O2/c1-22(10-11-5-3-4-6-14(11)24-2)15(23)9-21-13-8-7-12(18)16(19)17(13)20/h3-8,21H,9-10H2,1-2H3
InChIKeyKRHOBMYWZCJWGF-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.18
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2,3,4-trifluoroanilino)acetamide

N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2,3,4-trifluoroanilino)acetamide (PubChem CID 86910650) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2,3,4-trifluoroanilino)acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-2-(2,3,4-trifluoroanilino)acetamide
PubChem CID86910650
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-2-(2,3,4-trifluoroanilino)acetamide
SMILESCOc1ccccc1CN(C)C(=O)CNc1ccc(F)c(F)c1F
InChIInChI=1S/C17H17F3N2O2/c1-22(10-11-5-3-4-6-14(11)24-2)15(23)9-21-13-8-7-12(18)16(19)17(13)20/h3-8,21H,9-10H2,1-2H3
InChIKeyKRHOBMYWZCJWGF-UHFFFAOYSA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2,3,4-trifluoroanilino)acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2,3,4-trifluoroanilino)acetamide (CID 86910650) is N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2,3,4-trifluoroanilino)acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2,3,4-trifluoroanilino)acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2,3,4-trifluoroanilino)acetamide is COc1ccccc1CN(C)C(=O)CNc1ccc(F)c(F)c1F.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2,3,4-trifluoroanilino)acetamide?
The InChIKey is KRHOBMYWZCJWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-22(10-11-5-3-4-6-14(11)24-2)15(23)9-21-13-8-7-12(18)16(19)17(13)20/h3-8,21H,9-10H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2,3,4-trifluoroanilino)acetamide?
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2,3,4-trifluoroanilino)acetamide has a molecular weight of 338.33 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2,3,4-trifluoroanilino)acetamide is sourced from PubChem (CID 86910650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).