N-(2,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide

C21H16F2N2O5 — CID 7519487

IUPACN-(2,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide
SMILESCOc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)Nc2cc(F)ccc2F)cc1
InChIInChI=1S/C21H16F2N2O5/c1-29-16-6-2-13(3-7-16)17-11-15(25(27)28)5-9-20(17)30-12-21(26)24-19-10-14(22)4-8-18(19)23/h2-11H,12H2,1H3,(H,24,26)
InChIKeyXYACICKTCPUZOM-UHFFFAOYSA-N
MW414.36 g/mol
LogP4.57
Rot. Bonds7

About N-(2,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide

N-(2,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide (PubChem CID 7519487) has the molecular formula C21H16F2N2O5 and a molecular weight of 414.36 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide
PubChem CID7519487
Molecular FormulaC21H16F2N2O5
Molecular Weight414.36 g/mol
Exact Mass414.10
IUPAC NameN-(2,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide
SMILESCOc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)Nc2cc(F)ccc2F)cc1
InChIInChI=1S/C21H16F2N2O5/c1-29-16-6-2-13(3-7-16)17-11-15(25(27)28)5-9-20(17)30-12-21(26)24-19-10-14(22)4-8-18(19)23/h2-11H,12H2,1H3,(H,24,26)
InChIKeyXYACICKTCPUZOM-UHFFFAOYSA-N
XLogP4.57
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.36
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2,6-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide
CID 8700662
2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(2-methylphenyl)acetamide
CID 7991213
1-(3,4-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]ethanone
CID 7519463
2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(3-methylphenyl)acetamide
CID 7519396
1-(3-fluoro-4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]ethanone
CID 7991333
N-(3-chloro-4-cyanophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide
CID 18208967
2-(2-fluoro-4-nitrophenoxy)-N-(3-methoxyphenyl)acetamide
CID 46484655
2-(4-bromophenoxy)-N-(2-fluoro-5-nitrophenyl)acetamide
CID 1338216
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 2510111
2-[2-(4-methoxyphenyl)-4-nitrophenoxy]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 24523725
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide
CID 8700712
2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 2513285

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide (CID 7519487) is N-(2,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide is COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)Nc2cc(F)ccc2F)cc1.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide?
The InChIKey is XYACICKTCPUZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O5/c1-29-16-6-2-13(3-7-16)17-11-15(25(27)28)5-9-20(17)30-12-21(26)24-19-10-14(22)4-8-18(19)23/h2-11H,12H2,1H3,(H,24,26).
What are the key properties of N-(2,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide?
N-(2,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide has a molecular weight of 414.36 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]acetamide is sourced from PubChem (CID 7519487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).