N-[2-(4-ethoxyphenoxy)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide

C18H19FN2O6 — CID 40739932

IUPACN-[2-(4-ethoxyphenoxy)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESCCOc1ccc(OCCNC(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H19FN2O6/c1-2-25-14-4-6-15(7-5-14)26-10-9-20-18(22)12-27-17-11-13(19)3-8-16(17)21(23)24/h3-8,11H,2,9-10,12H2,1H3,(H,20,22)
InChIKeyBDPNYQMHXNPVMT-UHFFFAOYSA-N
MW378.36 g/mol
LogP2.71
Rot. Bonds10

About N-[2-(4-ethoxyphenoxy)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide

N-[2-(4-ethoxyphenoxy)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide (PubChem CID 40739932) has the molecular formula C18H19FN2O6 and a molecular weight of 378.36 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenoxy)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenoxy)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
PubChem CID40739932
Molecular FormulaC18H19FN2O6
Molecular Weight378.36 g/mol
Exact Mass378.12
IUPAC NameN-[2-(4-ethoxyphenoxy)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESCCOc1ccc(OCCNC(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H19FN2O6/c1-2-25-14-4-6-15(7-5-14)26-10-9-20-18(22)12-27-17-11-13(19)3-8-16(17)21(23)24/h3-8,11H,2,9-10,12H2,1H3,(H,20,22)
InChIKeyBDPNYQMHXNPVMT-UHFFFAOYSA-N
XLogP2.71
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-ethoxyphenoxy)ethyl]-2-(2-nitrophenoxy)acetamide
CID 27875414
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 40739919
2-(2-chloro-4-nitrophenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 8587894
N-[2-(4-chlorophenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2691003
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690970
N-(2,6-diethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690932
3-[2-(2-methoxyethylamino)-2-oxoethoxy]-4-nitrobenzoic acid
CID 45293053
N-(4-ethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 717206
N-(2,6-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7438488
N-(4-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7438477
2-(4-bromo-2-formylphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 27874519
2-(5-fluoro-2-nitrophenoxy)-N-(phenylcarbamoyl)acetamide
CID 26814603

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide?
The IUPAC name of N-[2-(4-ethoxyphenoxy)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide (CID 40739932) is N-[2-(4-ethoxyphenoxy)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[2-(4-ethoxyphenoxy)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide?
The canonical SMILES for N-[2-(4-ethoxyphenoxy)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide is CCOc1ccc(OCCNC(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[2-(4-ethoxyphenoxy)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide?
The InChIKey is BDPNYQMHXNPVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O6/c1-2-25-14-4-6-15(7-5-14)26-10-9-20-18(22)12-27-17-11-13(19)3-8-16(17)21(23)24/h3-8,11H,2,9-10,12H2,1H3,(H,20,22).
What are the key properties of N-[2-(4-ethoxyphenoxy)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide?
N-[2-(4-ethoxyphenoxy)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide has a molecular weight of 378.36 g/mol, XLogP of 2.71, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenoxy)ethyl]-2-(5-fluoro-2-nitrophenoxy)acetamide is sourced from PubChem (CID 40739932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).