2-(2,4-dichlorophenoxy)-N-(5-fluoro-2-nitrophenyl)acetamide

C14H9Cl2FN2O4 — CID 4841472

IUPAC2-(2,4-dichlorophenoxy)-N-(5-fluoro-2-nitrophenyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H9Cl2FN2O4/c15-8-1-4-13(10(16)5-8)23-7-14(20)18-11-6-9(17)2-3-12(11)19(21)22/h1-6H,7H2,(H,18,20)
InChIKeyRATZQIJBNFDQDA-UHFFFAOYSA-N
MW359.14 g/mol
LogP4.06
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-(5-fluoro-2-nitrophenyl)acetamide

2-(2,4-dichlorophenoxy)-N-(5-fluoro-2-nitrophenyl)acetamide (PubChem CID 4841472) has the molecular formula C14H9Cl2FN2O4 and a molecular weight of 359.14 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(5-fluoro-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(5-fluoro-2-nitrophenyl)acetamide
PubChem CID4841472
Molecular FormulaC14H9Cl2FN2O4
Molecular Weight359.14 g/mol
Exact Mass357.99
IUPAC Name2-(2,4-dichlorophenoxy)-N-(5-fluoro-2-nitrophenyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H9Cl2FN2O4/c15-8-1-4-13(10(16)5-8)23-7-14(20)18-11-6-9(17)2-3-12(11)19(21)22/h1-6H,7H2,(H,18,20)
InChIKeyRATZQIJBNFDQDA-UHFFFAOYSA-N
XLogP4.06
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.14
LogP ≤ 54.06
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'}

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Related Compounds

2-(2-chloro-4-nitrophenoxy)-N-(5-chloro-2-nitrophenyl)acetamide
CID 7865806
N-(2-chloro-4-fluorophenyl)-2-(4-chloro-2-nitrophenoxy)acetamide
CID 7991008
N-(4-chloro-2-fluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 8873509
2-(2-chloro-4-fluorophenoxy)-N-(2,5-difluorophenyl)acetamide
CID 30273064
2-(2,4-dichlorophenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 2500769
2-(4-bromo-2-chlorophenoxy)-N-(4-fluoro-2-nitrophenyl)acetamide
CID 5013304
[2-(5-chloro-2-nitroanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 7763878
[2-(5-chloro-2-nitroanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791322
N-(2-chloro-4-methylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690934
4-(2,4-dichlorophenoxy)-N-[3-[4-(2,4-dichlorophenoxy)butanoylamino]-4-nitrophenyl]butanamide
CID 5181794
2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide
CID 8709034
2-(2-chlorophenoxy)-N-(2-nitrophenyl)acetamide
CID 2903228

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(5-fluoro-2-nitrophenyl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(5-fluoro-2-nitrophenyl)acetamide (CID 4841472) is 2-(2,4-dichlorophenoxy)-N-(5-fluoro-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(5-fluoro-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(5-fluoro-2-nitrophenyl)acetamide is O=C(COc1ccc(Cl)cc1Cl)Nc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(5-fluoro-2-nitrophenyl)acetamide?
The InChIKey is RATZQIJBNFDQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN2O4/c15-8-1-4-13(10(16)5-8)23-7-14(20)18-11-6-9(17)2-3-12(11)19(21)22/h1-6H,7H2,(H,18,20).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(5-fluoro-2-nitrophenyl)acetamide?
2-(2,4-dichlorophenoxy)-N-(5-fluoro-2-nitrophenyl)acetamide has a molecular weight of 359.14 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(5-fluoro-2-nitrophenyl)acetamide is sourced from PubChem (CID 4841472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).