N-tert-butyl-2-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]acetamide

C15H20ClFN2O3 — CID 18118150

IUPACN-tert-butyl-2-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C15H20ClFN2O3/c1-15(2,3)18-13(20)8-19(4)14(21)9-22-12-6-5-10(17)7-11(12)16/h5-7H,8-9H2,1-4H3,(H,18,20)
InChIKeyCKCOWNFUEDPKLD-UHFFFAOYSA-N
MW330.79 g/mol
LogP2.23
Rot. Bonds5

About N-tert-butyl-2-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]acetamide

N-tert-butyl-2-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]acetamide (PubChem CID 18118150) has the molecular formula C15H20ClFN2O3 and a molecular weight of 330.79 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]acetamide
PubChem CID18118150
Molecular FormulaC15H20ClFN2O3
Molecular Weight330.79 g/mol
Exact Mass330.11
IUPAC NameN-tert-butyl-2-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)COc1ccc(F)cc1Cl
InChIInChI=1S/C15H20ClFN2O3/c1-15(2,3)18-13(20)8-19(4)14(21)9-22-12-6-5-10(17)7-11(12)16/h5-7H,8-9H2,1-4H3,(H,18,20)
InChIKeyCKCOWNFUEDPKLD-UHFFFAOYSA-N
XLogP2.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[methyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetamide
CID 9343613
2-(2-chloro-4-fluorophenoxy)-N-methoxy-N-methylacetamide
CID 60652409
2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-tert-butylacetamide
CID 8808299
methyl 4-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]butanoate
CID 60714443
2-(2-chloro-4-fluorophenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 112778718
2-(2-chloro-4-fluorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide
CID 64557969
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate
CID 8539361
2-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]propanoic acid
CID 55097258
methyl 3-(2-chloro-4-fluorophenoxy)-2,2-dimethylpropanoate
CID 79622181
N-tert-butyl-2-[methyl-[2-(2,4,6-trimethylphenoxy)acetyl]amino]acetamide
CID 24660351
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-methylamino]acetic acid
CID 43239764
2-(2-chloro-4-fluorophenoxy)acetohydrazide
CID 3818760

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]acetamide (CID 18118150) is N-tert-butyl-2-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]acetamide is CN(CC(=O)NC(C)(C)C)C(=O)COc1ccc(F)cc1Cl.
What is the InChIKey of N-tert-butyl-2-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]acetamide?
The InChIKey is CKCOWNFUEDPKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O3/c1-15(2,3)18-13(20)8-19(4)14(21)9-22-12-6-5-10(17)7-11(12)16/h5-7H,8-9H2,1-4H3,(H,18,20).
What are the key properties of N-tert-butyl-2-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]acetamide?
N-tert-butyl-2-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]acetamide has a molecular weight of 330.79 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]acetamide is sourced from PubChem (CID 18118150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).