2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methoxyethyl)acetamide

C14H19FN2O3 — CID 113162145

IUPAC2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(Cc1ccccc1F)C(C)=O
InChIInChI=1S/C14H19FN2O3/c1-11(18)17(10-14(19)16-7-8-20-2)9-12-5-3-4-6-13(12)15/h3-6H,7-10H2,1-2H3,(H,16,19)
InChIKeyXYCXNLOEMQIUQM-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.94
Rot. Bonds7

About 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methoxyethyl)acetamide

2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methoxyethyl)acetamide (PubChem CID 113162145) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methoxyethyl)acetamide
PubChem CID113162145
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(Cc1ccccc1F)C(C)=O
InChIInChI=1S/C14H19FN2O3/c1-11(18)17(10-14(19)16-7-8-20-2)9-12-5-3-4-6-13(12)15/h3-6H,7-10H2,1-2H3,(H,16,19)
InChIKeyXYCXNLOEMQIUQM-UHFFFAOYSA-N
XLogP0.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-methoxyethyl)propanamide
CID 113120912
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide
CID 113162526
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113162165
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113119130
N-[2-[acetyl-[(2-fluorophenyl)methyl]amino]ethyl]-3-phenoxypropanamide
CID 113054565
2-(N-acetyl-2-ethylanilino)-N-(2-methoxyethyl)acetamide
CID 113169024
3-[2-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 109015003
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113162238
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113162235
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113162169
2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113165811
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113162237

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methoxyethyl)acetamide (CID 113162145) is 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(Cc1ccccc1F)C(C)=O.
What is the InChIKey of 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is XYCXNLOEMQIUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-11(18)17(10-14(19)16-7-8-20-2)9-12-5-3-4-6-13(12)15/h3-6H,7-10H2,1-2H3,(H,16,19).
What are the key properties of 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methoxyethyl)acetamide?
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 282.31 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 113162145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).