N-(5-chloro-2-methoxyphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide

C16H12ClF3N2O5 — CID 47771816

IUPACN-(5-chloro-2-methoxyphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C16H12ClF3N2O5/c1-26-14-4-2-9(17)6-12(14)21-15(23)8-27-13-5-3-10(22(24)25)7-11(13)16(18,19)20/h2-7H,8H2,1H3,(H,21,23)
InChIKeyCKKSGCADXGPLJH-UHFFFAOYSA-N
MW404.73 g/mol
LogP4.29
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide (PubChem CID 47771816) has the molecular formula C16H12ClF3N2O5 and a molecular weight of 404.73 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide
PubChem CID47771816
Molecular FormulaC16H12ClF3N2O5
Molecular Weight404.73 g/mol
Exact Mass404.04
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1C(F)(F)F
InChIInChI=1S/C16H12ClF3N2O5/c1-26-14-4-2-9(17)6-12(14)21-15(23)8-27-13-5-3-10(22(24)25)7-11(13)16(18,19)20/h2-7H,8H2,1H3,(H,21,23)
InChIKeyCKKSGCADXGPLJH-UHFFFAOYSA-N
XLogP4.29
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.73
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406721
2-(2,4-dichlorophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2903084
N-(2-methylphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide
CID 47073931
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 26217063
2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 2513285
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 7770646
N-(5-acetamido-2-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 8587959
2-(2-chloro-4-phenylphenoxy)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 7653192
2-(4-chloro-2-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 720864
2-(2-chloro-4-nitrophenoxy)-N-(5-chloro-2-nitrophenyl)acetamide
CID 7865806
2-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9268719
N-(methylcarbamoyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide
CID 48923966

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide (CID 47771816) is N-(5-chloro-2-methoxyphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide is COc1ccc(Cl)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1C(F)(F)F.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is CKKSGCADXGPLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O5/c1-26-14-4-2-9(17)6-12(14)21-15(23)8-27-13-5-3-10(22(24)25)7-11(13)16(18,19)20/h2-7H,8H2,1H3,(H,21,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 404.73 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 47771816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).