2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide

C10H8ClF3N2O4 — CID 7865843

IUPAC2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1Cl)NCC(F)(F)F
InChIInChI=1S/C10H8ClF3N2O4/c11-7-3-6(16(18)19)1-2-8(7)20-4-9(17)15-5-10(12,13)14/h1-3H,4-5H2,(H,15,17)
InChIKeyJRZHZSXXMINRRN-UHFFFAOYSA-N
MW312.63 g/mol
LogP2.31
Rot. Bonds5

About 2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 7865843) has the molecular formula C10H8ClF3N2O4 and a molecular weight of 312.63 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID7865843
Molecular FormulaC10H8ClF3N2O4
Molecular Weight312.63 g/mol
Exact Mass312.01
IUPAC Name2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1Cl)NCC(F)(F)F
InChIInChI=1S/C10H8ClF3N2O4/c11-7-3-6(16(18)19)1-2-8(7)20-4-9(17)15-5-10(12,13)14/h1-3H,4-5H2,(H,15,17)
InChIKeyJRZHZSXXMINRRN-UHFFFAOYSA-N
XLogP2.31
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.63
LogP ≤ 52.31
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-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 40708016
2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide
CID 18074297
2-(2-chloro-4-nitrophenoxy)-N-prop-2-enylacetamide
CID 3314376
6-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]hexanoic acid
CID 2311184
2-(2-chloro-4-nitrophenoxy)-N-hexylacetamide
CID 8587910
2-(2,4-dichlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide
CID 9308338
2-(2-chloro-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide
CID 7509255
2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 8587696
2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide
CID 4314611
2-(2-chloro-4-nitrophenoxy)-N-[(1S)-1-cyclopropylethyl]acetamide
CID 8587870
N-(1-adamantylmethyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 7509178
2-(2-chloro-4-nitrophenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 8587894

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide (CID 7865843) is 2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1Cl)NCC(F)(F)F.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JRZHZSXXMINRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N2O4/c11-7-3-6(16(18)19)1-2-8(7)20-4-9(17)15-5-10(12,13)14/h1-3H,4-5H2,(H,15,17).
What are the key properties of 2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 312.63 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 7865843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).