2,2,2-trifluoro-N-(2-nitro-4-propoxyphenyl)acetamide

C11H11F3N2O4 — CID 110493042

IUPAC2,2,2-trifluoro-N-(2-nitro-4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(NC(=O)C(F)(F)F)c([N+](=O)[O-])c1
InChIInChI=1S/C11H11F3N2O4/c1-2-5-20-7-3-4-8(9(6-7)16(18)19)15-10(17)11(12,13)14/h3-4,6H,2,5H2,1H3,(H,15,17)
InChIKeyZSKZSQJRSQLPFK-UHFFFAOYSA-N
MW292.21 g/mol
LogP2.88
Rot. Bonds5

About 2,2,2-trifluoro-N-(2-nitro-4-propoxyphenyl)acetamide

2,2,2-trifluoro-N-(2-nitro-4-propoxyphenyl)acetamide (PubChem CID 110493042) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-nitro-4-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-nitro-4-propoxyphenyl)acetamide
PubChem CID110493042
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Name2,2,2-trifluoro-N-(2-nitro-4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(NC(=O)C(F)(F)F)c([N+](=O)[O-])c1
InChIInChI=1S/C11H11F3N2O4/c1-2-5-20-7-3-4-8(9(6-7)16(18)19)15-10(17)11(12,13)14/h3-4,6H,2,5H2,1H3,(H,15,17)
InChIKeyZSKZSQJRSQLPFK-UHFFFAOYSA-N
XLogP2.88
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 52.88
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'}

Analyze 2,2,2-trifluoro-N-(2-nitro-4-propoxyphenyl)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-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 5060247
4-methoxy-N-(2-nitro-4-propoxyphenyl)benzamide
CID 110492988
2,2,2-trifluoro-N-[2-nitro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide
CID 121234879
N-(2-nitro-4-propoxyphenyl)cyclobutanecarboxamide
CID 110493070
N-(4-ethoxy-2-nitrophenyl)-2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanamide
CID 3109819
N-[2-(2-nitro-4-propoxyanilino)-2-oxoethyl]benzamide
CID 110493019
N-(2-nitro-4-propoxyphenyl)-2-thiophen-2-ylacetamide
CID 110492997
1-(3-chlorophenyl)-3-(2-nitro-4-propoxyphenyl)urea
CID 110493012
2-(2,4-dimethoxyphenyl)-N-(2-nitro-4-propoxyphenyl)acetamide
CID 110493113
2-chloro-N-(2-nitro-4-propoxyphenyl)pyridine-4-carboxamide
CID 110493104
N-(4-methoxy-2-nitrophenyl)-2,2-dimethylbutanamide
CID 3140520
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-nitro-4-propoxyphenyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-nitro-4-propoxyphenyl)acetamide (CID 110493042) is 2,2,2-trifluoro-N-(2-nitro-4-propoxyphenyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-nitro-4-propoxyphenyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-nitro-4-propoxyphenyl)acetamide is CCCOc1ccc(NC(=O)C(F)(F)F)c([N+](=O)[O-])c1.
What is the InChIKey of 2,2,2-trifluoro-N-(2-nitro-4-propoxyphenyl)acetamide?
The InChIKey is ZSKZSQJRSQLPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c1-2-5-20-7-3-4-8(9(6-7)16(18)19)15-10(17)11(12,13)14/h3-4,6H,2,5H2,1H3,(H,15,17).
What are the key properties of 2,2,2-trifluoro-N-(2-nitro-4-propoxyphenyl)acetamide?
2,2,2-trifluoro-N-(2-nitro-4-propoxyphenyl)acetamide has a molecular weight of 292.21 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-nitro-4-propoxyphenyl)acetamide is sourced from PubChem (CID 110493042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).