N-butyl-2-(2,3,5-trifluoroanilino)acetamide

C12H15F3N2O — CID 55118024

IUPACN-butyl-2-(2,3,5-trifluoroanilino)acetamide
SMILESCCCCNC(=O)CNc1cc(F)cc(F)c1F
InChIInChI=1S/C12H15F3N2O/c1-2-3-4-16-11(18)7-17-10-6-8(13)5-9(14)12(10)15/h5-6,17H,2-4,7H2,1H3,(H,16,18)
InChIKeyRXXLUXWXNOGJLZ-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.43
Rot. Bonds6

About N-butyl-2-(2,3,5-trifluoroanilino)acetamide

N-butyl-2-(2,3,5-trifluoroanilino)acetamide (PubChem CID 55118024) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is N-butyl-2-(2,3,5-trifluoroanilino)acetamide.

Molecular Properties

Compound NameN-butyl-2-(2,3,5-trifluoroanilino)acetamide
PubChem CID55118024
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC NameN-butyl-2-(2,3,5-trifluoroanilino)acetamide
SMILESCCCCNC(=O)CNc1cc(F)cc(F)c1F
InChIInChI=1S/C12H15F3N2O/c1-2-3-4-16-11(18)7-17-10-6-8(13)5-9(14)12(10)15/h5-6,17H,2-4,7H2,1H3,(H,16,18)
InChIKeyRXXLUXWXNOGJLZ-UHFFFAOYSA-N
XLogP2.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815370
N-butyl-2-(4-fluoro-2-methylanilino)acetamide
CID 60672489
N-(cyclopropylmethyl)-2-(2,3,5-trifluoroanilino)acetamide
CID 62810074
2-(4-bromo-3-fluoroanilino)-N-butylacetamide
CID 65437727
N-butyl-2-(4-chloro-2-methylanilino)acetamide
CID 108993148
N-phenyl-2-(2,3,5-trifluoroanilino)acetamide
CID 62810251
2-(4-bromo-2,5-difluoroanilino)-N-propylacetamide
CID 103843113
tert-butyl 2-(2,3,5-trifluoroanilino)acetate
CID 55138442
N-(3-ethylsulfonylpropyl)-2,3,5-trifluoroaniline
CID 65092951
N-[2-(butylamino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 112990632
N-(3-methoxypropyl)-2-(2,3,5,6-tetrafluoroanilino)acetamide
CID 107644367
2-methyl-3-(2,3,5-trifluoroanilino)propanoic acid
CID 62810259

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2,3,5-trifluoroanilino)acetamide?
The IUPAC name of N-butyl-2-(2,3,5-trifluoroanilino)acetamide (CID 55118024) is N-butyl-2-(2,3,5-trifluoroanilino)acetamide.
What is the SMILES notation for N-butyl-2-(2,3,5-trifluoroanilino)acetamide?
The canonical SMILES for N-butyl-2-(2,3,5-trifluoroanilino)acetamide is CCCCNC(=O)CNc1cc(F)cc(F)c1F.
What is the InChIKey of N-butyl-2-(2,3,5-trifluoroanilino)acetamide?
The InChIKey is RXXLUXWXNOGJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-2-3-4-16-11(18)7-17-10-6-8(13)5-9(14)12(10)15/h5-6,17H,2-4,7H2,1H3,(H,16,18).
What are the key properties of N-butyl-2-(2,3,5-trifluoroanilino)acetamide?
N-butyl-2-(2,3,5-trifluoroanilino)acetamide has a molecular weight of 260.26 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2,3,5-trifluoroanilino)acetamide is sourced from PubChem (CID 55118024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).