N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-methoxybenzamide

C18H17F3N2O3 — CID 113064434

IUPACN-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCN(C(C)=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C18H17F3N2O3/c1-11(24)23(14-8-7-13(19)16(20)17(14)21)10-9-22-18(25)12-5-3-4-6-15(12)26-2/h3-8H,9-10H2,1-2H3,(H,22,25)
InChIKeyAYUUITRYPKVWFT-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.90
Rot. Bonds6

About N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-methoxybenzamide

N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-methoxybenzamide (PubChem CID 113064434) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-methoxybenzamide
PubChem CID113064434
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC NameN-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCN(C(C)=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C18H17F3N2O3/c1-11(24)23(14-8-7-13(19)16(20)17(14)21)10-9-22-18(25)12-5-3-4-6-15(12)26-2/h3-8H,9-10H2,1-2H3,(H,22,25)
InChIKeyAYUUITRYPKVWFT-UHFFFAOYSA-N
XLogP2.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-methoxybenzamide
CID 113059627
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-methoxybenzamide
CID 113064615
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methoxybenzamide
CID 113061378
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2,3,4-trifluorobenzamide
CID 113061258
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide
CID 113059182
N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2-methoxybenzamide
CID 113054651
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-fluorobenzamide
CID 113061304
N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-(4-chlorophenyl)acetamide
CID 113064446
methyl 2-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate
CID 113061889
N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-2,3,4-trifluorobenzamide
CID 113057810
N-[2-(N-acetyl-4-cyanoanilino)ethyl]-2-methoxybenzamide
CID 113064327
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-2-fluorobenzamide
CID 113059896

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-methoxybenzamide (CID 113064434) is N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCN(C(C)=O)c1ccc(F)c(F)c1F.
What is the InChIKey of N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-methoxybenzamide?
The InChIKey is AYUUITRYPKVWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-11(24)23(14-8-7-13(19)16(20)17(14)21)10-9-22-18(25)12-5-3-4-6-15(12)26-2/h3-8H,9-10H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-methoxybenzamide?
N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-methoxybenzamide has a molecular weight of 366.34 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 113064434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).