N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide

C10H9F3N2O4 — CID 5060247

IUPACN-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
SMILESCCOc1ccc(NC(=O)C(F)(F)F)c([N+](=O)[O-])c1
InChIInChI=1S/C10H9F3N2O4/c1-2-19-6-3-4-7(8(5-6)15(17)18)14-9(16)10(11,12)13/h3-5H,2H2,1H3,(H,14,16)
InChIKeyCBKWCQDRGLQADZ-UHFFFAOYSA-N
MW278.19 g/mol
LogP2.49
Rot. Bonds4

About N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide

N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide (PubChem CID 5060247) has the molecular formula C10H9F3N2O4 and a molecular weight of 278.19 g/mol. Its IUPAC name is N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
PubChem CID5060247
Molecular FormulaC10H9F3N2O4
Molecular Weight278.19 g/mol
Exact Mass278.05
IUPAC NameN-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
SMILESCCOc1ccc(NC(=O)C(F)(F)F)c([N+](=O)[O-])c1
InChIInChI=1S/C10H9F3N2O4/c1-2-19-6-3-4-7(8(5-6)15(17)18)14-9(16)10(11,12)13/h3-5H,2H2,1H3,(H,14,16)
InChIKeyCBKWCQDRGLQADZ-UHFFFAOYSA-N
XLogP2.49
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 52.49
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

2,2,2-trifluoro-N-(2-nitro-4-propoxyphenyl)acetamide
CID 110493042
N-(4-ethoxy-2-nitrophenyl)-2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanamide
CID 3109819
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254
N,N'-bis(4-ethoxy-2-nitrophenyl)hexanediamide
CID 5235455
2,2,2-trifluoro-N-[2-nitro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide
CID 121234879
N-(4-ethoxy-2-nitrophenyl)pentanamide
CID 4295410
3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide
CID 4644339
4-(4-ethoxy-2-nitroanilino)-4-oxobut-2-enoate
CID 7175755
3,4,5-triethoxy-N-(4-ethoxy-2-nitrophenyl)benzamide
CID 2862752
N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide
CID 2876934
2-amino-N-(4-ethoxy-2-nitrophenyl)-3-methylbutanamide
CID 60780427
2-N,6-N-bis(4-ethoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 4079901

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide (CID 5060247) is N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide is CCOc1ccc(NC(=O)C(F)(F)F)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide?
The InChIKey is CBKWCQDRGLQADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O4/c1-2-19-6-3-4-7(8(5-6)15(17)18)14-9(16)10(11,12)13/h3-5H,2H2,1H3,(H,14,16).
What are the key properties of N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide?
N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide has a molecular weight of 278.19 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 5060247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).