N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide

C16H12ClF3N2O5 — CID 26217063

IUPACN-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C16H12ClF3N2O5/c1-26-12-6-5-9(22(24)25)7-13(12)27-8-14(23)21-15-10(16(18,19)20)3-2-4-11(15)17/h2-7H,8H2,1H3,(H,21,23)
InChIKeySIJMRPLPQBHILV-UHFFFAOYSA-N
MW404.73 g/mol
LogP4.29
Rot. Bonds6

About N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide

N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide (PubChem CID 26217063) has the molecular formula C16H12ClF3N2O5 and a molecular weight of 404.73 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
PubChem CID26217063
Molecular FormulaC16H12ClF3N2O5
Molecular Weight404.73 g/mol
Exact Mass404.04
IUPAC NameN-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C16H12ClF3N2O5/c1-26-12-6-5-9(22(24)25)7-13(12)27-8-14(23)21-15-10(16(18,19)20)3-2-4-11(15)17/h2-7H,8H2,1H3,(H,21,23)
InChIKeySIJMRPLPQBHILV-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

[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 3659043
N-(5-chloro-2-methoxyphenyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide
CID 47771816
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
CID 7859022
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-methoxy-4-nitrophenyl)-2-(2-methoxyphenoxy)acetamide
CID 7720081
2-(2-chloro-4-phenylphenoxy)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 7653192
N-(2-chloro-5-nitrophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 17359240
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7932009
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7932010
2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931860
N-cyclohexyl-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931962

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide?
The IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide (CID 26217063) is N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide.
What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide?
The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide is COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide?
The InChIKey is SIJMRPLPQBHILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O5/c1-26-12-6-5-9(22(24)25)7-13(12)27-8-14(23)21-15-10(16(18,19)20)3-2-4-11(15)17/h2-7H,8H2,1H3,(H,21,23).
What are the key properties of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide?
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2-methoxy-5-nitrophenoxy)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-[2-chloro-6-(trifluoromethyl)phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide is sourced from PubChem (CID 26217063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).