2-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide

C14H18F2N2O3 — CID 60680853

IUPAC2-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)CC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2N2O3/c1-18(9-14(20)17-5-6-21-2)8-13(19)10-3-4-11(15)12(16)7-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,17,20)
InChIKeyVPQDBEOZCDGZCY-UHFFFAOYSA-N
MW300.31 g/mol
LogP0.84
Rot. Bonds8

About 2-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide

2-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 60680853) has the molecular formula C14H18F2N2O3 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID60680853
Molecular FormulaC14H18F2N2O3
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Name2-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)CC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H18F2N2O3/c1-18(9-14(20)17-5-6-21-2)8-13(19)10-3-4-11(15)12(16)7-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,17,20)
InChIKeyVPQDBEOZCDGZCY-UHFFFAOYSA-N
XLogP0.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 62037442
1-(3,4-difluorophenyl)-2-[ethyl(2-methoxyethyl)amino]ethanone
CID 54948866
4-chloro-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 51328813
1-(3,4-difluorophenyl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 62333770
2-[(3-carbamothioyl-4-fluorophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 107879290
1-(3,4-difluorophenyl)-4-methoxybutan-1-one
CID 62622615
3-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 51307897
2-[(4-chloro-2-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 79255516
4-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbenzamide
CID 112689546
2-[[2-(3-bromophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 60679933
4-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 51328809
methyl 3-(3,4-difluorophenyl)-3-oxopropanoate
CID 79023808

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide (CID 60680853) is 2-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)CC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is VPQDBEOZCDGZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3/c1-18(9-14(20)17-5-6-21-2)8-13(19)10-3-4-11(15)12(16)7-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,17,20).
What are the key properties of 2-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide?
2-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 300.31 g/mol, XLogP of 0.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-difluorophenyl)-2-oxoethyl]-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 60680853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).