2-(3-nitrophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide

C18H17F3N2O5 — CID 7865146

IUPAC2-(3-nitrophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H17F3N2O5/c1-2-8-27-16-7-6-12(18(19,20)21)9-15(16)22-17(24)11-28-14-5-3-4-13(10-14)23(25)26/h3-7,9-10H,2,8,11H2,1H3,(H,22,24)
InChIKeyMRWZQZBYRVJXQC-UHFFFAOYSA-N
MW398.34 g/mol
LogP4.42
Rot. Bonds8

About 2-(3-nitrophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide

2-(3-nitrophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 7865146) has the molecular formula C18H17F3N2O5 and a molecular weight of 398.34 g/mol. Its IUPAC name is 2-(3-nitrophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-nitrophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
PubChem CID7865146
Molecular FormulaC18H17F3N2O5
Molecular Weight398.34 g/mol
Exact Mass398.11
IUPAC Name2-(3-nitrophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H17F3N2O5/c1-2-8-27-16-7-6-12(18(19,20)21)9-15(16)22-17(24)11-28-14-5-3-4-13(10-14)23(25)26/h3-7,9-10H,2,8,11H2,1H3,(H,22,24)
InChIKeyMRWZQZBYRVJXQC-UHFFFAOYSA-N
XLogP4.42
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.34
LogP ≤ 54.42
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'}

Analyze 2-(3-nitrophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 34281761
2-(2-nitrophenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 31950827
2-(2-acetamidophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7867264
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 16549569
2-(5-nitro-2-oxo-1-pyridinyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7467801
N-(2-methoxy-4-nitrophenyl)-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide
CID 42070606
2-(2-formylphenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7762762
2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9393928
3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 112765185
2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 112765166
N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(3-nitrophenoxy)acetamide
CID 55890710

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-nitrophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide (CID 7865146) is 2-(3-nitrophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-nitrophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-nitrophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide is CCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(3-nitrophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is MRWZQZBYRVJXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O5/c1-2-8-27-16-7-6-12(18(19,20)21)9-15(16)22-17(24)11-28-14-5-3-4-13(10-14)23(25)26/h3-7,9-10H,2,8,11H2,1H3,(H,22,24).
What are the key properties of 2-(3-nitrophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
2-(3-nitrophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 398.34 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 7865146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).