2-acetamido-N-(fluoromethyl)-3-methoxypropanamide

C7H13FN2O3 — CID 123985166

IUPAC2-acetamido-N-(fluoromethyl)-3-methoxypropanamide
SMILESCOCC(NC(C)=O)C(=O)NCF
InChIInChI=1S/C7H13FN2O3/c1-5(11)10-6(3-13-2)7(12)9-4-8/h6H,3-4H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyTWNVJXXAVRGTCD-UHFFFAOYSA-N
MW192.19 g/mol
LogP-0.82
Rot. Bonds5

About 2-acetamido-N-(fluoromethyl)-3-methoxypropanamide

2-acetamido-N-(fluoromethyl)-3-methoxypropanamide (PubChem CID 123985166) has the molecular formula C7H13FN2O3 and a molecular weight of 192.19 g/mol. Its IUPAC name is 2-acetamido-N-(fluoromethyl)-3-methoxypropanamide.

Molecular Properties

Compound Name2-acetamido-N-(fluoromethyl)-3-methoxypropanamide
PubChem CID123985166
Molecular FormulaC7H13FN2O3
Molecular Weight192.19 g/mol
Exact Mass192.09
IUPAC Name2-acetamido-N-(fluoromethyl)-3-methoxypropanamide
SMILESCOCC(NC(C)=O)C(=O)NCF
InChIInChI=1S/C7H13FN2O3/c1-5(11)10-6(3-13-2)7(12)9-4-8/h6H,3-4H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyTWNVJXXAVRGTCD-UHFFFAOYSA-N
XLogP-0.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(fluoromethyl)-3-methoxypropanamide?
The IUPAC name of 2-acetamido-N-(fluoromethyl)-3-methoxypropanamide (CID 123985166) is 2-acetamido-N-(fluoromethyl)-3-methoxypropanamide.
What is the SMILES notation for 2-acetamido-N-(fluoromethyl)-3-methoxypropanamide?
The canonical SMILES for 2-acetamido-N-(fluoromethyl)-3-methoxypropanamide is COCC(NC(C)=O)C(=O)NCF.
What is the InChIKey of 2-acetamido-N-(fluoromethyl)-3-methoxypropanamide?
The InChIKey is TWNVJXXAVRGTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O3/c1-5(11)10-6(3-13-2)7(12)9-4-8/h6H,3-4H2,1-2H3,(H,9,12)(H,10,11).
What are the key properties of 2-acetamido-N-(fluoromethyl)-3-methoxypropanamide?
2-acetamido-N-(fluoromethyl)-3-methoxypropanamide has a molecular weight of 192.19 g/mol, XLogP of -0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(fluoromethyl)-3-methoxypropanamide is sourced from PubChem (CID 123985166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).