N-(2-chloro-4-fluorophenyl)-2-(4-chloro-2-nitrophenoxy)acetamide

C14H9Cl2FN2O4 — CID 7991008

IUPACN-(2-chloro-4-fluorophenyl)-2-(4-chloro-2-nitrophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(F)cc1Cl
InChIInChI=1S/C14H9Cl2FN2O4/c15-8-1-4-13(12(5-8)19(21)22)23-7-14(20)18-11-3-2-9(17)6-10(11)16/h1-6H,7H2,(H,18,20)
InChIKeyYMBQUQMEQBKMFL-UHFFFAOYSA-N
MW359.14 g/mol
LogP4.06
Rot. Bonds5

About N-(2-chloro-4-fluorophenyl)-2-(4-chloro-2-nitrophenoxy)acetamide

N-(2-chloro-4-fluorophenyl)-2-(4-chloro-2-nitrophenoxy)acetamide (PubChem CID 7991008) has the molecular formula C14H9Cl2FN2O4 and a molecular weight of 359.14 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(4-chloro-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(4-chloro-2-nitrophenoxy)acetamide
PubChem CID7991008
Molecular FormulaC14H9Cl2FN2O4
Molecular Weight359.14 g/mol
Exact Mass357.99
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(4-chloro-2-nitrophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(F)cc1Cl
InChIInChI=1S/C14H9Cl2FN2O4/c15-8-1-4-13(12(5-8)19(21)22)23-7-14(20)18-11-3-2-9(17)6-10(11)16/h1-6H,7H2,(H,18,20)
InChIKeyYMBQUQMEQBKMFL-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-(2,4-dichlorophenoxy)-N-(5-fluoro-2-nitrophenyl)acetamide
CID 4841472
N-(4-chloro-2-fluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 8873509
N-(2,4-dichlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 78765457
N-(2-chloro-4-methylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690934
2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide
CID 7991150
2-(4-bromo-2-chlorophenoxy)-N-(4-fluoro-2-nitrophenyl)acetamide
CID 5013304
2-(4-chloro-2-nitrophenoxy)-N-(2,4-dimethoxyphenyl)acetamide
CID 31728423
2-(4-chloro-2-nitrophenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7991036
2-(2-chloro-4-fluorophenoxy)-N-(2,5-difluorophenyl)acetamide
CID 30273064
2-(4-chloro-2-nitrophenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 26216842
N-(4-amino-2-chlorophenyl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 60970761
N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500579

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(4-chloro-2-nitrophenoxy)acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(4-chloro-2-nitrophenoxy)acetamide (CID 7991008) is N-(2-chloro-4-fluorophenyl)-2-(4-chloro-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(4-chloro-2-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(4-chloro-2-nitrophenoxy)acetamide is O=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(4-chloro-2-nitrophenoxy)acetamide?
The InChIKey is YMBQUQMEQBKMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN2O4/c15-8-1-4-13(12(5-8)19(21)22)23-7-14(20)18-11-3-2-9(17)6-10(11)16/h1-6H,7H2,(H,18,20).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(4-chloro-2-nitrophenoxy)acetamide?
N-(2-chloro-4-fluorophenyl)-2-(4-chloro-2-nitrophenoxy)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 N-(2-chloro-4-fluorophenyl)-2-(4-chloro-2-nitrophenoxy)acetamide is sourced from PubChem (CID 7991008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).