N-(5-amino-2-fluorophenyl)-2-(2-pyridin-2-ylethoxy)acetamide

C15H16FN3O2 — CID 29006235

IUPACN-(5-amino-2-fluorophenyl)-2-(2-pyridin-2-ylethoxy)acetamide
SMILESNc1ccc(F)c(NC(=O)COCCc2ccccn2)c1
InChIInChI=1S/C15H16FN3O2/c16-13-5-4-11(17)9-14(13)19-15(20)10-21-8-6-12-3-1-2-7-18-12/h1-5,7,9H,6,8,10,17H2,(H,19,20)
InChIKeyADAGPGFFOKPIQX-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.00
Rot. Bonds6

About N-(5-amino-2-fluorophenyl)-2-(2-pyridin-2-ylethoxy)acetamide

N-(5-amino-2-fluorophenyl)-2-(2-pyridin-2-ylethoxy)acetamide (PubChem CID 29006235) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-(2-pyridin-2-ylethoxy)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-(2-pyridin-2-ylethoxy)acetamide
PubChem CID29006235
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC NameN-(5-amino-2-fluorophenyl)-2-(2-pyridin-2-ylethoxy)acetamide
SMILESNc1ccc(F)c(NC(=O)COCCc2ccccn2)c1
InChIInChI=1S/C15H16FN3O2/c16-13-5-4-11(17)9-14(13)19-15(20)10-21-8-6-12-3-1-2-7-18-12/h1-5,7,9H,6,8,10,17H2,(H,19,20)
InChIKeyADAGPGFFOKPIQX-UHFFFAOYSA-N
XLogP2.00
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-2-(2-pyridin-2-ylethoxy)acetamide
CID 29006236
N-(5-amino-2-fluorophenyl)-2-phenylmethoxyacetamide
CID 16785782
N-[4-(aminomethyl)phenyl]-2-(2-pyridin-2-ylethoxy)acetamide
CID 29006248
N-(5-amino-2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide
CID 103401139
N-(5-amino-2-fluorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide
CID 103176942
N-(5-amino-2-fluorophenyl)-2-(2-chlorophenoxy)acetamide
CID 16783197
N-(5-amino-2-chlorophenyl)-2-(2-phenylethoxy)acetamide
CID 43376858
N-(5-amino-2-fluorophenyl)-2-(2-fluoro-5-methylphenoxy)acetamide
CID 64853622
N-(2-fluoro-5-phenoxyphenyl)-2-pyridin-2-ylacetamide
CID 175716132
N-(5-amino-2-fluorophenyl)-2-pyridin-4-ylacetamide
CID 16787056
N-(3-amino-4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 81466595
2-(2-aminoethoxy)-N-(2-fluoro-5-methylphenyl)acetamide
CID 79464256

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-(2-pyridin-2-ylethoxy)acetamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-(2-pyridin-2-ylethoxy)acetamide (CID 29006235) is N-(5-amino-2-fluorophenyl)-2-(2-pyridin-2-ylethoxy)acetamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-(2-pyridin-2-ylethoxy)acetamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-(2-pyridin-2-ylethoxy)acetamide is Nc1ccc(F)c(NC(=O)COCCc2ccccn2)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-(2-pyridin-2-ylethoxy)acetamide?
The InChIKey is ADAGPGFFOKPIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-13-5-4-11(17)9-14(13)19-15(20)10-21-8-6-12-3-1-2-7-18-12/h1-5,7,9H,6,8,10,17H2,(H,19,20).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-(2-pyridin-2-ylethoxy)acetamide?
N-(5-amino-2-fluorophenyl)-2-(2-pyridin-2-ylethoxy)acetamide has a molecular weight of 289.31 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-(2-pyridin-2-ylethoxy)acetamide is sourced from PubChem (CID 29006235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).