2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide

C21H26F2N2O3 — CID 87017985

IUPAC2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide
SMILESCOCCOc1cccc(CNC(=O)CN(C)C(C)c2cc(F)ccc2F)c1
InChIInChI=1S/C21H26F2N2O3/c1-15(19-12-17(22)7-8-20(19)23)25(2)14-21(26)24-13-16-5-4-6-18(11-16)28-10-9-27-3/h4-8,11-12,15H,9-10,13-14H2,1-3H3,(H,24,26)
InChIKeyXLWWZXHKFJDECL-UHFFFAOYSA-N
MW392.45 g/mol
LogP3.30
Rot. Bonds10

About 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide

2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide (PubChem CID 87017985) has the molecular formula C21H26F2N2O3 and a molecular weight of 392.45 g/mol. Its IUPAC name is 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide
PubChem CID87017985
Molecular FormulaC21H26F2N2O3
Molecular Weight392.45 g/mol
Exact Mass392.19
IUPAC Name2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide
SMILESCOCCOc1cccc(CNC(=O)CN(C)C(C)c2cc(F)ccc2F)c1
InChIInChI=1S/C21H26F2N2O3/c1-15(19-12-17(22)7-8-20(19)23)25(2)14-21(26)24-13-16-5-4-6-18(11-16)28-10-9-27-3/h4-8,11-12,15H,9-10,13-14H2,1-3H3,(H,24,26)
InChIKeyXLWWZXHKFJDECL-UHFFFAOYSA-N
XLogP3.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.30
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

2,5-difluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 87005454
2-[(4-chlorophenyl)methyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 87013294
2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-propylacetamide
CID 60503075
3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119289322
2-(4-aminophenyl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119723299
ethyl 2-[[(1R)-1-(2,5-difluorophenyl)ethyl]-methylamino]acetate
CID 94417360
2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 87016044
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119723323
4-bromo-2-fluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 166179858
2-(dipropylamino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 87016214
N-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 86829840
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 87005494

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide (CID 87017985) is 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide is COCCOc1cccc(CNC(=O)CN(C)C(C)c2cc(F)ccc2F)c1.
What is the InChIKey of 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide?
The InChIKey is XLWWZXHKFJDECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2O3/c1-15(19-12-17(22)7-8-20(19)23)25(2)14-21(26)24-13-16-5-4-6-18(11-16)28-10-9-27-3/h4-8,11-12,15H,9-10,13-14H2,1-3H3,(H,24,26).
What are the key properties of 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide?
2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide has a molecular weight of 392.45 g/mol, XLogP of 3.30, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-difluorophenyl)ethyl-methylamino]-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 87017985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).