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

C15H13F3N2O — CID 62815218

IUPACN-benzyl-2-(2,4,5-trifluoroanilino)acetamide
SMILESO=C(CNc1cc(F)c(F)cc1F)NCc1ccccc1
InChIInChI=1S/C15H13F3N2O/c16-11-6-13(18)14(7-12(11)17)19-9-15(21)20-8-10-4-2-1-3-5-10/h1-7,19H,8-9H2,(H,20,21)
InChIKeyVKHUTEAUSVGWRQ-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.83
Rot. Bonds5

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

N-benzyl-2-(2,4,5-trifluoroanilino)acetamide (PubChem CID 62815218) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is N-benzyl-2-(2,4,5-trifluoroanilino)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(2,4,5-trifluoroanilino)acetamide
PubChem CID62815218
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC NameN-benzyl-2-(2,4,5-trifluoroanilino)acetamide
SMILESO=C(CNc1cc(F)c(F)cc1F)NCc1ccccc1
InChIInChI=1S/C15H13F3N2O/c16-11-6-13(18)14(7-12(11)17)19-9-15(21)20-8-10-4-2-1-3-5-10/h1-7,19H,8-9H2,(H,20,21)
InChIKeyVKHUTEAUSVGWRQ-UHFFFAOYSA-N
XLogP2.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.83
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

N-benzyl-2-(2-methylsulfanylanilino)acetamide
CID 51252968
N-ethyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815913
N-benzyl-2-(4-chloro-3-fluoroanilino)acetamide
CID 61062398
2-anilino-N-[(3-fluorophenyl)methyl]acetamide
CID 54927417
N-butyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815370
N-[(3,4-difluorophenyl)methyl]-2-phenylacetamide
CID 110781029
N-benzyl-2-hydrazinylacetamide
CID 15514349
N-benzyl-2-(2,4,6-trichloroanilino)acetamide
CID 28992616
N-benzyl-2-(carbamothioylamino)acetamide
CID 86103801
2-anilino-N-[(3-chloro-4-fluorophenyl)methyl]acetamide
CID 62538297
N-[2-(benzylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36895898
2-[2-fluoro-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide
CID 86886800

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,4,5-trifluoroanilino)acetamide?
The IUPAC name of N-benzyl-2-(2,4,5-trifluoroanilino)acetamide (CID 62815218) is N-benzyl-2-(2,4,5-trifluoroanilino)acetamide.
What is the SMILES notation for N-benzyl-2-(2,4,5-trifluoroanilino)acetamide?
The canonical SMILES for N-benzyl-2-(2,4,5-trifluoroanilino)acetamide is O=C(CNc1cc(F)c(F)cc1F)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2,4,5-trifluoroanilino)acetamide?
The InChIKey is VKHUTEAUSVGWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c16-11-6-13(18)14(7-12(11)17)19-9-15(21)20-8-10-4-2-1-3-5-10/h1-7,19H,8-9H2,(H,20,21).
What are the key properties of N-benzyl-2-(2,4,5-trifluoroanilino)acetamide?
N-benzyl-2-(2,4,5-trifluoroanilino)acetamide has a molecular weight of 294.28 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,4,5-trifluoroanilino)acetamide is sourced from PubChem (CID 62815218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).