N-(2,3,4-trifluoroquinolin-8-yl)acetamide

C11H7F3N2O — CID 20977696

IUPACN-(2,3,4-trifluoroquinolin-8-yl)acetamide
SMILESCC(=O)Nc1cccc2c(F)c(F)c(F)nc12
InChIInChI=1S/C11H7F3N2O/c1-5(17)15-7-4-2-3-6-8(12)9(13)11(14)16-10(6)7/h2-4H,1H3,(H,15,17)
InChIKeyTXXOBZSEQSBFOV-UHFFFAOYSA-N
MW240.18 g/mol
LogP2.61
Rot. Bonds1

About N-(2,3,4-trifluoroquinolin-8-yl)acetamide

N-(2,3,4-trifluoroquinolin-8-yl)acetamide (PubChem CID 20977696) has the molecular formula C11H7F3N2O and a molecular weight of 240.18 g/mol. Its IUPAC name is N-(2,3,4-trifluoroquinolin-8-yl)acetamide.

Molecular Properties

Compound NameN-(2,3,4-trifluoroquinolin-8-yl)acetamide
PubChem CID20977696
Molecular FormulaC11H7F3N2O
Molecular Weight240.18 g/mol
Exact Mass240.05
IUPAC NameN-(2,3,4-trifluoroquinolin-8-yl)acetamide
SMILESCC(=O)Nc1cccc2c(F)c(F)c(F)nc12
InChIInChI=1S/C11H7F3N2O/c1-5(17)15-7-4-2-3-6-8(12)9(13)11(14)16-10(6)7/h2-4H,1H3,(H,15,17)
InChIKeyTXXOBZSEQSBFOV-UHFFFAOYSA-N
XLogP2.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethane;N-(2-fluoro-3-methylphenyl)acetamide
CID 145070564
N-(3-amino-2-fluorophenyl)acetamide
CID 23022555
N-(2,3,6-trifluoro-4-pyridinyl)acetamide
CID 11229252
N-(2-chloro-1,3-benzoxazol-4-yl)acetamide
CID 82394758
N-(2,1,3-benzoxadiazol-4-yl)acetamide
CID 585399
methyl 8-acetamidoquinoline-2-carboxylate
CID 139830366
N-[3-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]acetamide
CID 71003917
N-(2-cyanoquinolin-8-yl)acetamide
CID 139830356
N-[2-(2,6-difluorophenoxy)phenyl]acetamide
CID 142846289
N-(2-benzofuran-4-yl)acetamide
CID 174465432
8-acetamido-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoline-4-carboxamide
CID 95097428
2-acetamido-6-fluorobenzoate
CID 6933649

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4-trifluoroquinolin-8-yl)acetamide?
The IUPAC name of N-(2,3,4-trifluoroquinolin-8-yl)acetamide (CID 20977696) is N-(2,3,4-trifluoroquinolin-8-yl)acetamide.
What is the SMILES notation for N-(2,3,4-trifluoroquinolin-8-yl)acetamide?
The canonical SMILES for N-(2,3,4-trifluoroquinolin-8-yl)acetamide is CC(=O)Nc1cccc2c(F)c(F)c(F)nc12.
What is the InChIKey of N-(2,3,4-trifluoroquinolin-8-yl)acetamide?
The InChIKey is TXXOBZSEQSBFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O/c1-5(17)15-7-4-2-3-6-8(12)9(13)11(14)16-10(6)7/h2-4H,1H3,(H,15,17).
What are the key properties of N-(2,3,4-trifluoroquinolin-8-yl)acetamide?
N-(2,3,4-trifluoroquinolin-8-yl)acetamide has a molecular weight of 240.18 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4-trifluoroquinolin-8-yl)acetamide is sourced from PubChem (CID 20977696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).