2-(N-acetyl-3-fluoroanilino)-N-(2,3,4-trifluorophenyl)acetamide

C16H12F4N2O2 — CID 113177755

IUPAC2-(N-acetyl-3-fluoroanilino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)c1cccc(F)c1
InChIInChI=1S/C16H12F4N2O2/c1-9(23)22(11-4-2-3-10(17)7-11)8-14(24)21-13-6-5-12(18)15(19)16(13)20/h2-7H,8H2,1H3,(H,21,24)
InChIKeyFPTBIRZLANVEEW-UHFFFAOYSA-N
MW340.28 g/mol
LogP3.23
Rot. Bonds4

About 2-(N-acetyl-3-fluoroanilino)-N-(2,3,4-trifluorophenyl)acetamide

2-(N-acetyl-3-fluoroanilino)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 113177755) has the molecular formula C16H12F4N2O2 and a molecular weight of 340.28 g/mol. Its IUPAC name is 2-(N-acetyl-3-fluoroanilino)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-fluoroanilino)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID113177755
Molecular FormulaC16H12F4N2O2
Molecular Weight340.28 g/mol
Exact Mass340.08
IUPAC Name2-(N-acetyl-3-fluoroanilino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)c1cccc(F)c1
InChIInChI=1S/C16H12F4N2O2/c1-9(23)22(11-4-2-3-10(17)7-11)8-14(24)21-13-6-5-12(18)15(19)16(13)20/h2-7H,8H2,1H3,(H,21,24)
InChIKeyFPTBIRZLANVEEW-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(N-acetyl-3-cyanoanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113181013
2-(N-acetyl-3-fluoroanilino)-N-(2,5-dichlorophenyl)acetamide
CID 113177743
2-(N-acetyl-3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113179533
N-(4-acetamidophenyl)-2-(N-acetyl-3-fluoroanilino)acetamide
CID 113177708
2-(N-acetyl-3-fluoroanilino)-N-(4-ethylphenyl)acetamide
CID 113177666
2-(N,3-diacetylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113175525
2-(N-acetyl-3-fluoroanilino)-N-(2-cyanophenyl)acetamide
CID 113177751
2-(N-acetylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113167233
2-(N-acetyl-2,3-dimethylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113169007
3-(3-acetamido-N-acetylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 113131062
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113174499
2-(N-acetyl-3-fluoroanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113177670

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-fluoroanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-fluoroanilino)-N-(2,3,4-trifluorophenyl)acetamide (CID 113177755) is 2-(N-acetyl-3-fluoroanilino)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-fluoroanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-fluoroanilino)-N-(2,3,4-trifluorophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)c1cccc(F)c1.
What is the InChIKey of 2-(N-acetyl-3-fluoroanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is FPTBIRZLANVEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N2O2/c1-9(23)22(11-4-2-3-10(17)7-11)8-14(24)21-13-6-5-12(18)15(19)16(13)20/h2-7H,8H2,1H3,(H,21,24).
What are the key properties of 2-(N-acetyl-3-fluoroanilino)-N-(2,3,4-trifluorophenyl)acetamide?
2-(N-acetyl-3-fluoroanilino)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 340.28 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-fluoroanilino)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 113177755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).