N-(4-methylphenyl)-2-(2,4,5-trifluoroanilino)acetamide

C15H13F3N2O — CID 62816420

IUPACN-(4-methylphenyl)-2-(2,4,5-trifluoroanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C15H13F3N2O/c1-9-2-4-10(5-3-9)20-15(21)8-19-14-7-12(17)11(16)6-13(14)18/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyASIQOAZIYWRGOV-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.46
Rot. Bonds4

About N-(4-methylphenyl)-2-(2,4,5-trifluoroanilino)acetamide

N-(4-methylphenyl)-2-(2,4,5-trifluoroanilino)acetamide (PubChem CID 62816420) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(2,4,5-trifluoroanilino)acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(2,4,5-trifluoroanilino)acetamide
PubChem CID62816420
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC NameN-(4-methylphenyl)-2-(2,4,5-trifluoroanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C15H13F3N2O/c1-9-2-4-10(5-3-9)20-15(21)8-19-14-7-12(17)11(16)6-13(14)18/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyASIQOAZIYWRGOV-UHFFFAOYSA-N
XLogP3.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-2-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 43385683
2-(4-chloro-3-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 60536545
N-(4-acetamidophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109010043
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)acetamide
CID 103768034
2-(4-bromo-2,5-difluoroanilino)-N-phenylacetamide
CID 103843092
2-(2,5-dimethylanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 9079711
2-(4-bromo-2,5-difluoroanilino)-N-(3-methylphenyl)acetamide
CID 103843058
2-(2-methylanilino)-N-(4-methylphenyl)acetamide
CID 7636705
2-(5-bromo-2-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 43555709
2-(2-chloro-5-methylanilino)-N-(4-fluorophenyl)acetamide
CID 103768049
N-(4-tert-butylphenyl)-2-(2,4-difluoroanilino)acetamide
CID 109008349
N-ethyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815913

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(2,4,5-trifluoroanilino)acetamide?
The IUPAC name of N-(4-methylphenyl)-2-(2,4,5-trifluoroanilino)acetamide (CID 62816420) is N-(4-methylphenyl)-2-(2,4,5-trifluoroanilino)acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(2,4,5-trifluoroanilino)acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-(2,4,5-trifluoroanilino)acetamide is Cc1ccc(NC(=O)CNc2cc(F)c(F)cc2F)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(2,4,5-trifluoroanilino)acetamide?
The InChIKey is ASIQOAZIYWRGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-9-2-4-10(5-3-9)20-15(21)8-19-14-7-12(17)11(16)6-13(14)18/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of N-(4-methylphenyl)-2-(2,4,5-trifluoroanilino)acetamide?
N-(4-methylphenyl)-2-(2,4,5-trifluoroanilino)acetamide has a molecular weight of 294.28 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(2,4,5-trifluoroanilino)acetamide is sourced from PubChem (CID 62816420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).