2-(2-aminophenyl)-N-(2,3,5-trifluorophenyl)acetamide

C14H11F3N2O — CID 62810482

IUPAC2-(2-aminophenyl)-N-(2,3,5-trifluorophenyl)acetamide
SMILESNc1ccccc1CC(=O)Nc1cc(F)cc(F)c1F
InChIInChI=1S/C14H11F3N2O/c15-9-6-10(16)14(17)12(7-9)19-13(20)5-8-3-1-2-4-11(8)18/h1-4,6-7H,5,18H2,(H,19,20)
InChIKeyBMPCBZBGFINMGT-UHFFFAOYSA-N
MW280.25 g/mol
LogP2.87
Rot. Bonds3

About 2-(2-aminophenyl)-N-(2,3,5-trifluorophenyl)acetamide

2-(2-aminophenyl)-N-(2,3,5-trifluorophenyl)acetamide (PubChem CID 62810482) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-(2,3,5-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-(2,3,5-trifluorophenyl)acetamide
PubChem CID62810482
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name2-(2-aminophenyl)-N-(2,3,5-trifluorophenyl)acetamide
SMILESNc1ccccc1CC(=O)Nc1cc(F)cc(F)c1F
InChIInChI=1S/C14H11F3N2O/c15-9-6-10(16)14(17)12(7-9)19-13(20)5-8-3-1-2-4-11(8)18/h1-4,6-7H,5,18H2,(H,19,20)
InChIKeyBMPCBZBGFINMGT-UHFFFAOYSA-N
XLogP2.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)-N-(2-bromo-5-fluorophenyl)acetamide
CID 103832912
3-amino-3-sulfanylidene-N-(2,3,5-trifluorophenyl)propanamide
CID 62814231
2-(4-sulfanylphenyl)-N-(2,3,5-trifluorophenyl)acetamide
CID 107028637
N-(2-amino-4,6-difluorophenyl)-2-(2-fluorophenyl)acetamide
CID 81313560
3-(2-aminophenyl)-N-(2,4-difluorophenyl)propanamide
CID 28714073
2-(2-aminophenyl)-N-(4-chloro-3-fluorophenyl)acetamide
CID 61466448
2-(2-aminophenyl)-N-methylacetamide
CID 16772909
2-(2-aminophenyl)-N-(2-cyanophenyl)acetamide
CID 16781296
2-(2-aminophenyl)-N-(2,3-dimethylphenyl)acetamide
CID 16794842
2-(2-aminophenyl)-N-(5-bromo-2-chlorophenyl)acetamide
CID 55132440
2-chloro-N-[(2,3,5-trifluorophenyl)carbamoyl]acetamide
CID 62814110
2-(2-bromophenyl)-N-(2,4-difluorophenyl)acetamide
CID 113098832

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-(2,3,5-trifluorophenyl)acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-(2,3,5-trifluorophenyl)acetamide (CID 62810482) is 2-(2-aminophenyl)-N-(2,3,5-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-(2,3,5-trifluorophenyl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-(2,3,5-trifluorophenyl)acetamide is Nc1ccccc1CC(=O)Nc1cc(F)cc(F)c1F.
What is the InChIKey of 2-(2-aminophenyl)-N-(2,3,5-trifluorophenyl)acetamide?
The InChIKey is BMPCBZBGFINMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-9-6-10(16)14(17)12(7-9)19-13(20)5-8-3-1-2-4-11(8)18/h1-4,6-7H,5,18H2,(H,19,20).
What are the key properties of 2-(2-aminophenyl)-N-(2,3,5-trifluorophenyl)acetamide?
2-(2-aminophenyl)-N-(2,3,5-trifluorophenyl)acetamide has a molecular weight of 280.25 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-(2,3,5-trifluorophenyl)acetamide is sourced from PubChem (CID 62810482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).