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

C11H13F3N2O2 — CID 79281586

IUPAC2-(2-methoxyethylamino)-N-(3,4,5-trifluorophenyl)acetamide
SMILESCOCCNCC(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H13F3N2O2/c1-18-3-2-15-6-10(17)16-7-4-8(12)11(14)9(13)5-7/h4-5,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyRDNBMQSGOKVJOG-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.28
Rot. Bonds6

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

2-(2-methoxyethylamino)-N-(3,4,5-trifluorophenyl)acetamide (PubChem CID 79281586) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-N-(3,4,5-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-N-(3,4,5-trifluorophenyl)acetamide
PubChem CID79281586
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2-(2-methoxyethylamino)-N-(3,4,5-trifluorophenyl)acetamide
SMILESCOCCNCC(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H13F3N2O2/c1-18-3-2-15-6-10(17)16-7-4-8(12)11(14)9(13)5-7/h4-5,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyRDNBMQSGOKVJOG-UHFFFAOYSA-N
XLogP1.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide
CID 115738296
5-[[2-(2-methoxyethylamino)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 79271306
N-(4-ethoxy-3-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119742218
2-(methylamino)-N-(3,4,5-trifluorophenyl)acetamide
CID 62813194
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836
N-(2,4-difluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673290
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide
CID 119731551
N-(5-acetamido-2-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119705055
N-(4-iodophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819702
2-(2-methoxyethylamino)-N-(4-methoxyphenyl)acetamide
CID 28565585
N-(2,6-dichloro-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide
CID 83078795
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119731550

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-N-(3,4,5-trifluorophenyl)acetamide?
The IUPAC name of 2-(2-methoxyethylamino)-N-(3,4,5-trifluorophenyl)acetamide (CID 79281586) is 2-(2-methoxyethylamino)-N-(3,4,5-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-N-(3,4,5-trifluorophenyl)acetamide?
The canonical SMILES for 2-(2-methoxyethylamino)-N-(3,4,5-trifluorophenyl)acetamide is COCCNCC(=O)Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-(2-methoxyethylamino)-N-(3,4,5-trifluorophenyl)acetamide?
The InChIKey is RDNBMQSGOKVJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-18-3-2-15-6-10(17)16-7-4-8(12)11(14)9(13)5-7/h4-5,15H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 2-(2-methoxyethylamino)-N-(3,4,5-trifluorophenyl)acetamide?
2-(2-methoxyethylamino)-N-(3,4,5-trifluorophenyl)acetamide has a molecular weight of 262.23 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-N-(3,4,5-trifluorophenyl)acetamide is sourced from PubChem (CID 79281586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).