2-[2-(2,5-difluoro-4-methoxyphenyl)ethyl-methylamino]acetamide

C12H16F2N2O2 — CID 115260283

IUPAC2-[2-(2,5-difluoro-4-methoxyphenyl)ethyl-methylamino]acetamide
SMILESCOc1cc(F)c(CCN(C)CC(N)=O)cc1F
InChIInChI=1S/C12H16F2N2O2/c1-16(7-12(15)17)4-3-8-5-10(14)11(18-2)6-9(8)13/h5-6H,3-4,7H2,1-2H3,(H2,15,17)
InChIKeyJPLNWEIZYJVOCR-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.93
Rot. Bonds6

About 2-[2-(2,5-difluoro-4-methoxyphenyl)ethyl-methylamino]acetamide

2-[2-(2,5-difluoro-4-methoxyphenyl)ethyl-methylamino]acetamide (PubChem CID 115260283) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[2-(2,5-difluoro-4-methoxyphenyl)ethyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[2-(2,5-difluoro-4-methoxyphenyl)ethyl-methylamino]acetamide
PubChem CID115260283
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-[2-(2,5-difluoro-4-methoxyphenyl)ethyl-methylamino]acetamide
SMILESCOc1cc(F)c(CCN(C)CC(N)=O)cc1F
InChIInChI=1S/C12H16F2N2O2/c1-16(7-12(15)17)4-3-8-5-10(14)11(18-2)6-9(8)13/h5-6H,3-4,7H2,1-2H3,(H2,15,17)
InChIKeyJPLNWEIZYJVOCR-UHFFFAOYSA-N
XLogP0.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-1-methylurea
CID 115168702
2-amino-N-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-N-methylacetamide
CID 115151774
2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]acetamide
CID 115260223
2-[2-(5-bromo-2-methoxyphenyl)ethyl-methylamino]acetamide
CID 115260219
2-(2,5-difluoro-4-methoxyphenyl)ethyl-methylcyanamide
CID 117043560
3-(2,5-difluoro-4-methoxyphenyl)propanehydrazide
CID 116843529
2-[2-(2-methoxy-4,6-dimethylphenyl)ethyl-methylamino]acetamide
CID 115260265
2-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl-methylamino]acetamide
CID 115260246
2-(2,5-difluoro-4-methoxyphenyl)ethylcarbamic acid
CID 115171185
2-(2,5-difluoro-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
CID 116847504
2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]acetic acid
CID 112518374
1-amino-3-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]urea
CID 115192963

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-difluoro-4-methoxyphenyl)ethyl-methylamino]acetamide?
The IUPAC name of 2-[2-(2,5-difluoro-4-methoxyphenyl)ethyl-methylamino]acetamide (CID 115260283) is 2-[2-(2,5-difluoro-4-methoxyphenyl)ethyl-methylamino]acetamide.
What is the SMILES notation for 2-[2-(2,5-difluoro-4-methoxyphenyl)ethyl-methylamino]acetamide?
The canonical SMILES for 2-[2-(2,5-difluoro-4-methoxyphenyl)ethyl-methylamino]acetamide is COc1cc(F)c(CCN(C)CC(N)=O)cc1F.
What is the InChIKey of 2-[2-(2,5-difluoro-4-methoxyphenyl)ethyl-methylamino]acetamide?
The InChIKey is JPLNWEIZYJVOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-16(7-12(15)17)4-3-8-5-10(14)11(18-2)6-9(8)13/h5-6H,3-4,7H2,1-2H3,(H2,15,17).
What are the key properties of 2-[2-(2,5-difluoro-4-methoxyphenyl)ethyl-methylamino]acetamide?
2-[2-(2,5-difluoro-4-methoxyphenyl)ethyl-methylamino]acetamide has a molecular weight of 258.27 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-difluoro-4-methoxyphenyl)ethyl-methylamino]acetamide is sourced from PubChem (CID 115260283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).