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

C11H9ClF3N3O5 — CID 40708016

IUPAC2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1Cl)NC(=O)NCC(F)(F)F
InChIInChI=1S/C11H9ClF3N3O5/c12-7-3-6(18(21)22)1-2-8(7)23-4-9(19)17-10(20)16-5-11(13,14)15/h1-3H,4-5H2,(H2,16,17,19,20)
InChIKeyBFFZAVYXQMPLHB-UHFFFAOYSA-N
MW355.66 g/mol
LogP2.02
Rot. Bonds5

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

2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (PubChem CID 40708016) has the molecular formula C11H9ClF3N3O5 and a molecular weight of 355.66 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
PubChem CID40708016
Molecular FormulaC11H9ClF3N3O5
Molecular Weight355.66 g/mol
Exact Mass355.02
IUPAC Name2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1Cl)NC(=O)NCC(F)(F)F
InChIInChI=1S/C11H9ClF3N3O5/c12-7-3-6(18(21)22)1-2-8(7)23-4-9(19)17-10(20)16-5-11(13,14)15/h1-3H,4-5H2,(H2,16,17,19,20)
InChIKeyBFFZAVYXQMPLHB-UHFFFAOYSA-N
XLogP2.02
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 52.02
H-Bond Donors ≤ 52
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-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 7865843
2-(2-chloro-4-nitrophenoxy)-N-(2-methylpropylcarbamoyl)acetamide
CID 7509223
2-(2-chloro-4-nitrophenoxy)-N-(propan-2-ylcarbamoyl)acetamide
CID 4216081
2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide
CID 18074297
2-(2-chloro-4-nitrophenoxy)-N-prop-2-enylacetamide
CID 3314376
N-(methylcarbamoyl)-2-[4-nitro-2-(trifluoromethyl)phenoxy]acetamide
CID 48923966
2-(2-chloro-4-nitrophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7866088
1-(2-chloro-5-nitrophenyl)-3-(2,2,2-trifluoroethyl)urea
CID 116655175
2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide
CID 4314611
6-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]hexanoic acid
CID 2311184
2-(2-chloro-4-nitrophenoxy)-N-hexylacetamide
CID 8587910
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-trifluoroethylcarbamoyl)acetamide?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (CID 40708016) is 2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1Cl)NC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The InChIKey is BFFZAVYXQMPLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3O5/c12-7-3-6(18(21)22)1-2-8(7)23-4-9(19)17-10(20)16-5-11(13,14)15/h1-3H,4-5H2,(H2,16,17,19,20).
What are the key properties of 2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide has a molecular weight of 355.66 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is sourced from PubChem (CID 40708016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).