2-(2-chloro-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide

C13H11ClN2O5 — CID 7509255

IUPAC2-(2-chloro-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1Cl)NCc1ccco1
InChIInChI=1S/C13H11ClN2O5/c14-11-6-9(16(18)19)3-4-12(11)21-8-13(17)15-7-10-2-1-5-20-10/h1-6H,7-8H2,(H,15,17)
InChIKeyHZRYHXWNYPSASZ-UHFFFAOYSA-N
MW310.69 g/mol
LogP2.54
Rot. Bonds6

About 2-(2-chloro-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide

2-(2-chloro-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide (PubChem CID 7509255) has the molecular formula C13H11ClN2O5 and a molecular weight of 310.69 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide
PubChem CID7509255
Molecular FormulaC13H11ClN2O5
Molecular Weight310.69 g/mol
Exact Mass310.04
IUPAC Name2-(2-chloro-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1Cl)NCc1ccco1
InChIInChI=1S/C13H11ClN2O5/c14-11-6-9(16(18)19)3-4-12(11)21-8-13(17)15-7-10-2-1-5-20-10/h1-6H,7-8H2,(H,15,17)
InChIKeyHZRYHXWNYPSASZ-UHFFFAOYSA-N
XLogP2.54
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.69
LogP ≤ 52.54
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'}

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Related Compounds

2-(2-benzyl-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide
CID 27142980
2-(2-chloro-4-nitrophenoxy)-N-ethylacetamide
CID 18074297
2-(2-chloro-4-nitrophenoxy)-1-(furan-2-yl)ethanone
CID 60626106
2-chloro-N-(furan-2-ylmethyl)-4-nitrobenzamide
CID 773667
N-(furan-2-ylmethyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473626
2-(2-chloro-4-nitrophenoxy)-N-prop-2-enylacetamide
CID 3314376
2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 7865843
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 17407249
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-(oxolan-2-ylmethyl)acetamide
CID 4780067
2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide
CID 4314611

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide (CID 7509255) is 2-(2-chloro-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1Cl)NCc1ccco1.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is HZRYHXWNYPSASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O5/c14-11-6-9(16(18)19)3-4-12(11)21-8-13(17)15-7-10-2-1-5-20-10/h1-6H,7-8H2,(H,15,17).
What are the key properties of 2-(2-chloro-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide?
2-(2-chloro-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 310.69 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 7509255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).