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

C9H18ClFN2O — CID 166334681

IUPAC2-chloro-2-fluoro-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]acetamide
SMILESCC(C)N(C)C[C@@H](C)NC(=O)C(F)Cl
InChIInChI=1S/C9H18ClFN2O/c1-6(2)13(4)5-7(3)12-9(14)8(10)11/h6-8H,5H2,1-4H3,(H,12,14)/t7-,8?/m1/s1
InChIKeySYUMYPUQYZRROF-GVHYBUMESA-N
MW224.71 g/mol
LogP1.37
Rot. Bonds5

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

2-chloro-2-fluoro-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]acetamide (PubChem CID 166334681) has the molecular formula C9H18ClFN2O and a molecular weight of 224.71 g/mol. Its IUPAC name is 2-chloro-2-fluoro-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-2-fluoro-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]acetamide
PubChem CID166334681
Molecular FormulaC9H18ClFN2O
Molecular Weight224.71 g/mol
Exact Mass224.11
IUPAC Name2-chloro-2-fluoro-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]acetamide
SMILESCC(C)N(C)C[C@@H](C)NC(=O)C(F)Cl
InChIInChI=1S/C9H18ClFN2O/c1-6(2)13(4)5-7(3)12-9(14)8(10)11/h6-8H,5H2,1-4H3,(H,12,14)/t7-,8?/m1/s1
InChIKeySYUMYPUQYZRROF-GVHYBUMESA-N
XLogP1.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.71
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-2-fluoro-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Isopropyl chlorofluoroacetamide
CID 13885084
2-[(2-chloro-2-fluoroacetyl)amino]-N-methylpropanamide
CID 167098178
2-[(2-chloro-2-fluoroacetyl)amino]-N-propan-2-ylpropanamide
CID 167098393
n2-Acetyl-n,n-bis(2-chloropropyl)alaninamide
CID 250333
(Chloroacetyl)propylenediamine
CID 129826644
2-Chloro-N-[2-[cyclopropyl(2,2-difluoroethyl)amino]ethyl]propanamide
CID 145887888
2-chloro-2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 166334675
2-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-fluoroacetamide
CID 166427743
2-chloro-2-fluoro-N-[2-methyl-1-[methyl(propyl)amino]propan-2-yl]acetamide
CID 167808904
4-(2-Chloro-2-fluoroacetyl)-3,5,6-trimethylpiperazin-2-one
CID 167908872
2-chloro-N-[2-(isopropylamino)-2-oxoethyl]-N-methylacetamide
CID 4962571
2-chloro-N-[2-[(2-chloroacetyl)amino]propyl]acetamide
CID 4100259

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-fluoro-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]acetamide?
The IUPAC name of 2-chloro-2-fluoro-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]acetamide (CID 166334681) is 2-chloro-2-fluoro-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]acetamide.
What is the SMILES notation for 2-chloro-2-fluoro-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]acetamide?
The canonical SMILES for 2-chloro-2-fluoro-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]acetamide is CC(C)N(C)C[C@@H](C)NC(=O)C(F)Cl.
What is the InChIKey of 2-chloro-2-fluoro-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]acetamide?
The InChIKey is SYUMYPUQYZRROF-GVHYBUMESA-N. The full InChI is InChI=1S/C9H18ClFN2O/c1-6(2)13(4)5-7(3)12-9(14)8(10)11/h6-8H,5H2,1-4H3,(H,12,14)/t7-,8?/m1/s1.
What are the key properties of 2-chloro-2-fluoro-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]acetamide?
2-chloro-2-fluoro-N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]acetamide has a molecular weight of 224.71 g/mol, XLogP of 1.37, 5 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-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]acetamide is sourced from PubChem (CID 166334681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).