2-chloro-2-fluoro-N-[2-methyl-1-[methyl(propyl)amino]propan-2-yl]acetamide

C10H20ClFN2O — CID 167808904

IUPAC2-chloro-2-fluoro-N-[2-methyl-1-[methyl(propyl)amino]propan-2-yl]acetamide
SMILESCCCN(C)CC(C)(C)NC(=O)C(F)Cl
InChIInChI=1S/C10H20ClFN2O/c1-5-6-14(4)7-10(2,3)13-9(15)8(11)12/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyWRDZUIKQMCVILE-UHFFFAOYSA-N
MW238.73 g/mol
LogP1.76
Rot. Bonds6

About 2-chloro-2-fluoro-N-[2-methyl-1-[methyl(propyl)amino]propan-2-yl]acetamide

2-chloro-2-fluoro-N-[2-methyl-1-[methyl(propyl)amino]propan-2-yl]acetamide (PubChem CID 167808904) has the molecular formula C10H20ClFN2O and a molecular weight of 238.73 g/mol. Its IUPAC name is 2-chloro-2-fluoro-N-[2-methyl-1-[methyl(propyl)amino]propan-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-2-fluoro-N-[2-methyl-1-[methyl(propyl)amino]propan-2-yl]acetamide
PubChem CID167808904
Molecular FormulaC10H20ClFN2O
Molecular Weight238.73 g/mol
Exact Mass238.12
IUPAC Name2-chloro-2-fluoro-N-[2-methyl-1-[methyl(propyl)amino]propan-2-yl]acetamide
SMILESCCCN(C)CC(C)(C)NC(=O)C(F)Cl
InChIInChI=1S/C10H20ClFN2O/c1-5-6-14(4)7-10(2,3)13-9(15)8(11)12/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyWRDZUIKQMCVILE-UHFFFAOYSA-N
XLogP1.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.73
LogP ≤ 51.76
H-Bond Donors ≤ 51
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-chloro-2-fluoro-N-[2-methyl-1-[methyl(propyl)amino]propan-2-yl]acetamide?
The IUPAC name of 2-chloro-2-fluoro-N-[2-methyl-1-[methyl(propyl)amino]propan-2-yl]acetamide (CID 167808904) is 2-chloro-2-fluoro-N-[2-methyl-1-[methyl(propyl)amino]propan-2-yl]acetamide.
What is the SMILES notation for 2-chloro-2-fluoro-N-[2-methyl-1-[methyl(propyl)amino]propan-2-yl]acetamide?
The canonical SMILES for 2-chloro-2-fluoro-N-[2-methyl-1-[methyl(propyl)amino]propan-2-yl]acetamide is CCCN(C)CC(C)(C)NC(=O)C(F)Cl.
What is the InChIKey of 2-chloro-2-fluoro-N-[2-methyl-1-[methyl(propyl)amino]propan-2-yl]acetamide?
The InChIKey is WRDZUIKQMCVILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClFN2O/c1-5-6-14(4)7-10(2,3)13-9(15)8(11)12/h8H,5-7H2,1-4H3,(H,13,15).
What are the key properties of 2-chloro-2-fluoro-N-[2-methyl-1-[methyl(propyl)amino]propan-2-yl]acetamide?
2-chloro-2-fluoro-N-[2-methyl-1-[methyl(propyl)amino]propan-2-yl]acetamide has a molecular weight of 238.73 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-fluoro-N-[2-methyl-1-[methyl(propyl)amino]propan-2-yl]acetamide is sourced from PubChem (CID 167808904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).