N-(2,6-difluorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide

C15H12F2N2O5 — CID 7473647

IUPACN-(2,6-difluorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2c(F)cccc2F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12F2N2O5/c1-23-9-5-6-13(12(7-9)19(21)22)24-8-14(20)18-15-10(16)3-2-4-11(15)17/h2-7H,8H2,1H3,(H,18,20)
InChIKeyRKYQKQRCGGIRPW-UHFFFAOYSA-N
MW338.27 g/mol
LogP2.90
Rot. Bonds6

About N-(2,6-difluorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide

N-(2,6-difluorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide (PubChem CID 7473647) has the molecular formula C15H12F2N2O5 and a molecular weight of 338.27 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
PubChem CID7473647
Molecular FormulaC15H12F2N2O5
Molecular Weight338.27 g/mol
Exact Mass338.07
IUPAC NameN-(2,6-difluorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2c(F)cccc2F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12F2N2O5/c1-23-9-5-6-13(12(7-9)19(21)22)24-8-14(20)18-15-10(16)3-2-4-11(15)17/h2-7H,8H2,1H3,(H,18,20)
InChIKeyRKYQKQRCGGIRPW-UHFFFAOYSA-N
XLogP2.90
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 52.90
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
N-(3-chlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473683
N-(2,6-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7438488
N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965140
N-(2,4-dichlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 78765457
N-(2-tert-butylphenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965088
2-(4-chloro-2-nitrophenoxy)-N-(2,4-dimethoxyphenyl)acetamide
CID 31728423
N-butan-2-yl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 78487834
2-(4-methoxy-2-nitrophenoxy)-N-(1-phenylethyl)acetamide
CID 18076412
2-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 7867384
N-(2,6-difluorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 970586
2-(2-fluoro-4-nitrophenoxy)-N-(3-methoxyphenyl)acetamide
CID 46484655

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide (CID 7473647) is N-(2,6-difluorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide is COc1ccc(OCC(=O)Nc2c(F)cccc2F)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide?
The InChIKey is RKYQKQRCGGIRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O5/c1-23-9-5-6-13(12(7-9)19(21)22)24-8-14(20)18-15-10(16)3-2-4-11(15)17/h2-7H,8H2,1H3,(H,18,20).
What are the key properties of N-(2,6-difluorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide?
N-(2,6-difluorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide has a molecular weight of 338.27 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide is sourced from PubChem (CID 7473647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).