N-(2,6-diethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide

C18H19FN2O4 — CID 2690932

IUPACN-(2,6-diethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESCCc1cccc(CC)c1NC(=O)COc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C18H19FN2O4/c1-3-12-6-5-7-13(4-2)18(12)20-17(22)11-25-16-10-14(19)8-9-15(16)21(23)24/h5-10H,3-4,11H2,1-2H3,(H,20,22)
InChIKeySCQZPGDHSNNAGM-UHFFFAOYSA-N
MW346.36 g/mol
LogP3.88
Rot. Bonds7

About N-(2,6-diethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide

N-(2,6-diethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide (PubChem CID 2690932) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
PubChem CID2690932
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC NameN-(2,6-diethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESCCc1cccc(CC)c1NC(=O)COc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C18H19FN2O4/c1-3-12-6-5-7-13(4-2)18(12)20-17(22)11-25-16-10-14(19)8-9-15(16)21(23)24/h5-10H,3-4,11H2,1-2H3,(H,20,22)
InChIKeySCQZPGDHSNNAGM-UHFFFAOYSA-N
XLogP3.88
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2,6-diethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7438488
2-(5-fluoro-2-nitrophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 7701837
N-(2,3-dimethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690891
2-(5-fluoro-2-nitrophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7846247
N-(4-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7438477
N-(3,4-difluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690908
2-(4-chloro-2-nitrophenoxy)-N-(2-ethyl-6-methylphenyl)acetamide
CID 7979886
N-(4-butan-2-ylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 78289991
2-(5-fluoro-2-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide
CID 2690910
2-(5-fluoro-2-nitrophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 7846097
2-(5-fluoro-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7846238
2-(5-fluoro-2-nitrophenoxy)-N-(phenylcarbamoyl)acetamide
CID 26814603

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide (CID 2690932) is N-(2,6-diethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide is CCc1cccc(CC)c1NC(=O)COc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of N-(2,6-diethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
The InChIKey is SCQZPGDHSNNAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-3-12-6-5-7-13(4-2)18(12)20-17(22)11-25-16-10-14(19)8-9-15(16)21(23)24/h5-10H,3-4,11H2,1-2H3,(H,20,22).
What are the key properties of N-(2,6-diethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
N-(2,6-diethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide has a molecular weight of 346.36 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide is sourced from PubChem (CID 2690932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).