2-anilino-N-(3,4,5-trifluorophenyl)acetamide

C14H11F3N2O — CID 62811643

IUPAC2-anilino-N-(3,4,5-trifluorophenyl)acetamide
SMILESO=C(CNc1ccccc1)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H11F3N2O/c15-11-6-10(7-12(16)14(11)17)19-13(20)8-18-9-4-2-1-3-5-9/h1-7,18H,8H2,(H,19,20)
InChIKeyKUQMMKYOBVSNLG-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.15
Rot. Bonds4

About 2-anilino-N-(3,4,5-trifluorophenyl)acetamide

2-anilino-N-(3,4,5-trifluorophenyl)acetamide (PubChem CID 62811643) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-anilino-N-(3,4,5-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-anilino-N-(3,4,5-trifluorophenyl)acetamide
PubChem CID62811643
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name2-anilino-N-(3,4,5-trifluorophenyl)acetamide
SMILESO=C(CNc1ccccc1)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H11F3N2O/c15-11-6-10(7-12(16)14(11)17)19-13(20)8-18-9-4-2-1-3-5-9/h1-7,18H,8H2,(H,19,20)
InChIKeyKUQMMKYOBVSNLG-UHFFFAOYSA-N
XLogP3.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-2-(2,3,5-trifluoroanilino)acetamide
CID 62810251
2-(methylamino)-N-(3,4,5-trifluorophenyl)acetamide
CID 62813194
2-anilino-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316865
2-anilino-N-(3,5-dimethoxyphenyl)acetamide
CID 51178238
2-anilino-N-(3-iodophenyl)acetamide
CID 47107105
2-(4-chloroanilino)-N-(3,4-difluorophenyl)acetamide
CID 9098972
2-anilino-N-(2-bromo-4,6-difluorophenyl)acetamide
CID 60703391
2-(3,5-dimethylanilino)-N-phenylacetamide
CID 7636819
2-(3-cyano-4-fluoroanilino)-N-phenylacetamide
CID 62317173
2-(3,5-dimethylanilino)-N-phenylacetamide;hydrochloride
CID 50988159
2-(4-bromo-2,5-difluoroanilino)-N-phenylacetamide
CID 103843092
2-anilino-N-(2-bromo-4-fluorophenyl)acetamide
CID 60860763

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(3,4,5-trifluorophenyl)acetamide?
The IUPAC name of 2-anilino-N-(3,4,5-trifluorophenyl)acetamide (CID 62811643) is 2-anilino-N-(3,4,5-trifluorophenyl)acetamide.
What is the SMILES notation for 2-anilino-N-(3,4,5-trifluorophenyl)acetamide?
The canonical SMILES for 2-anilino-N-(3,4,5-trifluorophenyl)acetamide is O=C(CNc1ccccc1)Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-anilino-N-(3,4,5-trifluorophenyl)acetamide?
The InChIKey is KUQMMKYOBVSNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-11-6-10(7-12(16)14(11)17)19-13(20)8-18-9-4-2-1-3-5-9/h1-7,18H,8H2,(H,19,20).
What are the key properties of 2-anilino-N-(3,4,5-trifluorophenyl)acetamide?
2-anilino-N-(3,4,5-trifluorophenyl)acetamide has a molecular weight of 280.25 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(3,4,5-trifluorophenyl)acetamide is sourced from PubChem (CID 62811643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).