2-(4-cyano-2-methoxyphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide

C16H12FN3O5 — CID 4845177

IUPAC2-(4-cyano-2-methoxyphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C16H12FN3O5/c1-24-15-6-10(8-18)2-5-14(15)25-9-16(21)19-11-3-4-12(17)13(7-11)20(22)23/h2-7H,9H2,1H3,(H,19,21)
InChIKeyVIJBFQXVJHIOMQ-UHFFFAOYSA-N
MW345.29 g/mol
LogP2.63
Rot. Bonds6

About 2-(4-cyano-2-methoxyphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide

2-(4-cyano-2-methoxyphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide (PubChem CID 4845177) has the molecular formula C16H12FN3O5 and a molecular weight of 345.29 g/mol. Its IUPAC name is 2-(4-cyano-2-methoxyphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-methoxyphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
PubChem CID4845177
Molecular FormulaC16H12FN3O5
Molecular Weight345.29 g/mol
Exact Mass345.08
IUPAC Name2-(4-cyano-2-methoxyphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
SMILESCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C16H12FN3O5/c1-24-15-6-10(8-18)2-5-14(15)25-9-16(21)19-11-3-4-12(17)13(7-11)20(22)23/h2-7H,9H2,1H3,(H,19,21)
InChIKeyVIJBFQXVJHIOMQ-UHFFFAOYSA-N
XLogP2.63
TPSA114.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.29
LogP ≤ 52.63
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'}

Analyze 2-(4-cyano-2-methoxyphenoxy)-N-(4-fluoro-3-nitrophenyl)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

2-(4-cyano-2-methoxyphenoxy)-N-(4-ethylphenyl)acetamide
CID 2492527
2-(2,4-dichlorophenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 2500769
N-(4-fluoro-3-nitrophenyl)-2-(2-fluorophenoxy)acetamide
CID 7478517
2-(4-cyano-2-methoxyphenoxy)-N-(2-fluorophenyl)acetamide
CID 2492568
2-(4-cyano-2-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 7252101
N-(2-chloro-4-nitrophenyl)-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 16959885
2-(4-cyano-2-methoxyphenoxy)-N-[4-(diethylamino)phenyl]acetamide
CID 55309601
2-(4-chloro-2-methylphenoxy)-N-(4-methoxy-3-nitrophenyl)acetamide
CID 17101974
N-(4-fluoro-3-nitrophenyl)-2-(3-methoxyphenoxy)acetamide
CID 112787411
2-(4-chloro-2-nitrophenoxy)-N-(3-cyanophenyl)acetamide
CID 7991024
2-(4-chloro-2,6-dimethylphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 9212730
5-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxamide
CID 41070274

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide?
The IUPAC name of 2-(4-cyano-2-methoxyphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide (CID 4845177) is 2-(4-cyano-2-methoxyphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-cyano-2-methoxyphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-cyano-2-methoxyphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide is COc1cc(C#N)ccc1OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-cyano-2-methoxyphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide?
The InChIKey is VIJBFQXVJHIOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O5/c1-24-15-6-10(8-18)2-5-14(15)25-9-16(21)19-11-3-4-12(17)13(7-11)20(22)23/h2-7H,9H2,1H3,(H,19,21).
What are the key properties of 2-(4-cyano-2-methoxyphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide?
2-(4-cyano-2-methoxyphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide has a molecular weight of 345.29 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-methoxyphenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide is sourced from PubChem (CID 4845177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).