2-[(2-chloro-2-fluoroacetyl)amino]-N-methylpropanamide

C6H10ClFN2O2 — CID 167098178

IUPAC2-[(2-chloro-2-fluoroacetyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC(=O)C(F)Cl
InChIInChI=1S/C6H10ClFN2O2/c1-3(5(11)9-2)10-6(12)4(7)8/h3-4H,1-2H3,(H,9,11)(H,10,12)
InChIKeyIIQYZBLVPAXUKH-UHFFFAOYSA-N
MW196.61 g/mol
LogP-0.23
Rot. Bonds3

About 2-[(2-chloro-2-fluoroacetyl)amino]-N-methylpropanamide

2-[(2-chloro-2-fluoroacetyl)amino]-N-methylpropanamide (PubChem CID 167098178) has the molecular formula C6H10ClFN2O2 and a molecular weight of 196.61 g/mol. Its IUPAC name is 2-[(2-chloro-2-fluoroacetyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(2-chloro-2-fluoroacetyl)amino]-N-methylpropanamide
PubChem CID167098178
Molecular FormulaC6H10ClFN2O2
Molecular Weight196.61 g/mol
Exact Mass196.04
IUPAC Name2-[(2-chloro-2-fluoroacetyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NC(=O)C(F)Cl
InChIInChI=1S/C6H10ClFN2O2/c1-3(5(11)9-2)10-6(12)4(7)8/h3-4H,1-2H3,(H,9,11)(H,10,12)
InChIKeyIIQYZBLVPAXUKH-UHFFFAOYSA-N
XLogP-0.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.61
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-2-fluoroacetyl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(2-chloro-2-fluoroacetyl)amino]-N-methylpropanamide (CID 167098178) is 2-[(2-chloro-2-fluoroacetyl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(2-chloro-2-fluoroacetyl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(2-chloro-2-fluoroacetyl)amino]-N-methylpropanamide is CNC(=O)C(C)NC(=O)C(F)Cl.
What is the InChIKey of 2-[(2-chloro-2-fluoroacetyl)amino]-N-methylpropanamide?
The InChIKey is IIQYZBLVPAXUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClFN2O2/c1-3(5(11)9-2)10-6(12)4(7)8/h3-4H,1-2H3,(H,9,11)(H,10,12).
What are the key properties of 2-[(2-chloro-2-fluoroacetyl)amino]-N-methylpropanamide?
2-[(2-chloro-2-fluoroacetyl)amino]-N-methylpropanamide has a molecular weight of 196.61 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-2-fluoroacetyl)amino]-N-methylpropanamide is sourced from PubChem (CID 167098178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).