N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide

C18H19FN2O6 — CID 2690970

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESCOc1ccc(CCNC(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1OC
InChIInChI=1S/C18H19FN2O6/c1-25-15-6-3-12(9-17(15)26-2)7-8-20-18(22)11-27-16-10-13(19)4-5-14(16)21(23)24/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)
InChIKeyQZNHDZFEODTPOP-UHFFFAOYSA-N
MW378.36 g/mol
LogP2.49
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide (PubChem CID 2690970) has the molecular formula C18H19FN2O6 and a molecular weight of 378.36 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
PubChem CID2690970
Molecular FormulaC18H19FN2O6
Molecular Weight378.36 g/mol
Exact Mass378.12
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESCOc1ccc(CCNC(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1OC
InChIInChI=1S/C18H19FN2O6/c1-25-15-6-3-12(9-17(15)26-2)7-8-20-18(22)11-27-16-10-13(19)4-5-14(16)21(23)24/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)
InChIKeyQZNHDZFEODTPOP-UHFFFAOYSA-N
XLogP2.49
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2691003
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406843
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 40739919
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23912279
N-[2-(4-ethoxyphenoxy)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 40739932
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361
2-(2,6-dimethoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2494853
2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7336900
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 18161532
2-(3-methoxy-4-nitrophenoxy)-N-(2-phenylethyl)acetamide
CID 48845561
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931667

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide (CID 2690970) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide is COc1ccc(CCNC(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide?
The InChIKey is QZNHDZFEODTPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O6/c1-25-15-6-3-12(9-17(15)26-2)7-8-20-18(22)11-27-16-10-13(19)4-5-14(16)21(23)24/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide has a molecular weight of 378.36 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide is sourced from PubChem (CID 2690970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).