2-(2-chloro-4-nitrophenoxy)-N-prop-2-enylacetamide

C11H11ClN2O4 — CID 3314376

IUPAC2-(2-chloro-4-nitrophenoxy)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H11ClN2O4/c1-2-5-13-11(15)7-18-10-4-3-8(14(16)17)6-9(10)12/h2-4,6H,1,5,7H2,(H,13,15)
InChIKeyOVJUPKNVUHDUMI-UHFFFAOYSA-N
MW270.67 g/mol
LogP1.93
Rot. Bonds6

About 2-(2-chloro-4-nitrophenoxy)-N-prop-2-enylacetamide

2-(2-chloro-4-nitrophenoxy)-N-prop-2-enylacetamide (PubChem CID 3314376) has the molecular formula C11H11ClN2O4 and a molecular weight of 270.67 g/mol. Its IUPAC name is 2-(2-chloro-4-nitrophenoxy)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(2-chloro-4-nitrophenoxy)-N-prop-2-enylacetamide
PubChem CID3314376
Molecular FormulaC11H11ClN2O4
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC Name2-(2-chloro-4-nitrophenoxy)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H11ClN2O4/c1-2-5-13-11(15)7-18-10-4-3-8(14(16)17)6-9(10)12/h2-4,6H,1,5,7H2,(H,13,15)
InChIKeyOVJUPKNVUHDUMI-UHFFFAOYSA-N
XLogP1.93
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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-ethylacetamide
CID 18074297
2-[2-(aminomethyl)-4-nitrophenoxy]-N-prop-2-enylacetamide
CID 60889968
2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 7865843
[2-oxo-2-(prop-2-enylamino)ethyl] 2-chloro-5-nitrobenzoate
CID 2631093
3-chloro-4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzoic acid
CID 45303892
2-(2-chloro-4-nitrophenoxy)-N-hexylacetamide
CID 8587910
6-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]hexanoic acid
CID 2311184
2-(2-chloro-4-nitrophenoxy)-N-(furan-2-ylmethyl)acetamide
CID 7509255
2-(2-chloro-4-nitrophenoxy)-N-cycloheptylacetamide
CID 4314611
N-(1-adamantylmethyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 7509178
2-(2-chloro-4-nitrophenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 8587894
2-(2-chloro-4-nitrophenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 8587948

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-prop-2-enylacetamide?
The IUPAC name of 2-(2-chloro-4-nitrophenoxy)-N-prop-2-enylacetamide (CID 3314376) is 2-(2-chloro-4-nitrophenoxy)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(2-chloro-4-nitrophenoxy)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(2-chloro-4-nitrophenoxy)-N-prop-2-enylacetamide is C=CCNC(=O)COc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-(2-chloro-4-nitrophenoxy)-N-prop-2-enylacetamide?
The InChIKey is OVJUPKNVUHDUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O4/c1-2-5-13-11(15)7-18-10-4-3-8(14(16)17)6-9(10)12/h2-4,6H,1,5,7H2,(H,13,15).
What are the key properties of 2-(2-chloro-4-nitrophenoxy)-N-prop-2-enylacetamide?
2-(2-chloro-4-nitrophenoxy)-N-prop-2-enylacetamide has a molecular weight of 270.67 g/mol, XLogP of 1.93, 6 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-prop-2-enylacetamide is sourced from PubChem (CID 3314376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).