N-(2-chloro-4-methylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide

C15H12ClFN2O4 — CID 2690934

IUPACN-(2-chloro-4-methylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C15H12ClFN2O4/c1-9-2-4-12(11(16)6-9)18-15(20)8-23-14-7-10(17)3-5-13(14)19(21)22/h2-7H,8H2,1H3,(H,18,20)
InChIKeyCLUALXJJIPHCMW-UHFFFAOYSA-N
MW338.72 g/mol
LogP3.71
Rot. Bonds5

About N-(2-chloro-4-methylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide

N-(2-chloro-4-methylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide (PubChem CID 2690934) has the molecular formula C15H12ClFN2O4 and a molecular weight of 338.72 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
PubChem CID2690934
Molecular FormulaC15H12ClFN2O4
Molecular Weight338.72 g/mol
Exact Mass338.05
IUPAC NameN-(2-chloro-4-methylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
SMILESCc1ccc(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C15H12ClFN2O4/c1-9-2-4-12(11(16)6-9)18-15(20)8-23-14-7-10(17)3-5-13(14)19(21)22/h2-7H,8H2,1H3,(H,18,20)
InChIKeyCLUALXJJIPHCMW-UHFFFAOYSA-N
XLogP3.71
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.72
LogP ≤ 53.71
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

N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500579
N-(4-chloro-2-fluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 8873509
2-(2-bromo-4-fluorophenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 34651329
N-(2-chloro-4-fluorophenyl)-2-(4-chloro-2-nitrophenoxy)acetamide
CID 7991008
N-(2,3-dimethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690891
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 4810421
N-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 7751875
N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18165666
N-(2-cyano-4-nitrophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7846258
2-(4-bromo-2-chlorophenoxy)-N-(4-fluoro-2-nitrophenyl)acetamide
CID 5013304
2-(2,4-dichlorophenoxy)-N-(5-fluoro-2-nitrophenyl)acetamide
CID 4841472
N-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 46663706

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide (CID 2690934) is N-(2-chloro-4-methylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide is Cc1ccc(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
The InChIKey is CLUALXJJIPHCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O4/c1-9-2-4-12(11(16)6-9)18-15(20)8-23-14-7-10(17)3-5-13(14)19(21)22/h2-7H,8H2,1H3,(H,18,20).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide?
N-(2-chloro-4-methylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide has a molecular weight of 338.72 g/mol, XLogP of 3.71, 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-methylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide is sourced from PubChem (CID 2690934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).