2-amino-N-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-N-methylacetamide

C12H16F2N2O2 — CID 115151774

IUPAC2-amino-N-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1cc(F)c(CCN(C)C(=O)CN)cc1F
InChIInChI=1S/C12H16F2N2O2/c1-16(12(17)7-15)4-3-8-5-10(14)11(18-2)6-9(8)13/h5-6H,3-4,7,15H2,1-2H3
InChIKeyNQCJIZUPDSGKIQ-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.93
Rot. Bonds5

About 2-amino-N-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-N-methylacetamide

2-amino-N-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-N-methylacetamide (PubChem CID 115151774) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-amino-N-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-N-methylacetamide
PubChem CID115151774
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-amino-N-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-N-methylacetamide
SMILESCOc1cc(F)c(CCN(C)C(=O)CN)cc1F
InChIInChI=1S/C12H16F2N2O2/c1-16(12(17)7-15)4-3-8-5-10(14)11(18-2)6-9(8)13/h5-6H,3-4,7,15H2,1-2H3
InChIKeyNQCJIZUPDSGKIQ-UHFFFAOYSA-N
XLogP0.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-[2-(2,5-difluoro-4-methoxyphenyl)ethyl-methylamino]acetamide
CID 115260283
2-(2,5-difluoro-4-methoxyphenyl)ethyl-methylcyanamide
CID 117043560
3-(2,5-difluoro-4-methoxyphenyl)propanehydrazide
CID 116843529
N-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-oxopropanamide
CID 115175825
2-cyano-N-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 115173225
2-(2,5-difluoro-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
CID 116847504
2-(2,5-difluoro-4-methoxyphenyl)ethylcarbamic acid
CID 115171185
1-amino-3-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]urea
CID 115192963
3-(2,5-difluoro-4-methoxyphenyl)propanal
CID 73014070
3-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N-methylbutanamide
CID 115154397
4-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylbutanamide
CID 115155476

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-N-methylacetamide (CID 115151774) is 2-amino-N-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-N-methylacetamide is COc1cc(F)c(CCN(C)C(=O)CN)cc1F.
What is the InChIKey of 2-amino-N-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-N-methylacetamide?
The InChIKey is NQCJIZUPDSGKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-16(12(17)7-15)4-3-8-5-10(14)11(18-2)6-9(8)13/h5-6H,3-4,7,15H2,1-2H3.
What are the key properties of 2-amino-N-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-N-methylacetamide?
2-amino-N-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-N-methylacetamide has a molecular weight of 258.27 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 115151774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).