2-[2-chloro-4-(2-nitroethenyl)phenoxy]acetamide

C10H9ClN2O4 — CID 3597054

IUPAC2-[2-chloro-4-(2-nitroethenyl)phenoxy]acetamide
SMILESNC(=O)COc1ccc(C=C[N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H9ClN2O4/c11-8-5-7(3-4-13(15)16)1-2-9(8)17-6-10(12)14/h1-5H,6H2,(H2,12,14)
InChIKeyWFEGOTAUXDKLEE-UHFFFAOYSA-N
MW256.64 g/mol
LogP1.45
Rot. Bonds5

About 2-[2-chloro-4-(2-nitroethenyl)phenoxy]acetamide

2-[2-chloro-4-(2-nitroethenyl)phenoxy]acetamide (PubChem CID 3597054) has the molecular formula C10H9ClN2O4 and a molecular weight of 256.64 g/mol. Its IUPAC name is 2-[2-chloro-4-(2-nitroethenyl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(2-nitroethenyl)phenoxy]acetamide
PubChem CID3597054
Molecular FormulaC10H9ClN2O4
Molecular Weight256.64 g/mol
Exact Mass256.03
IUPAC Name2-[2-chloro-4-(2-nitroethenyl)phenoxy]acetamide
SMILESNC(=O)COc1ccc(C=C[N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H9ClN2O4/c11-8-5-7(3-4-13(15)16)1-2-9(8)17-6-10(12)14/h1-5H,6H2,(H2,12,14)
InChIKeyWFEGOTAUXDKLEE-UHFFFAOYSA-N
XLogP1.45
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.64
LogP ≤ 51.45
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-chloro-1-methoxy-4-[(E)-2-nitroethenyl]benzene
CID 65022390
1-[(4-bromophenyl)methoxy]-2-chloro-4-[(E)-2-nitroethenyl]benzene
CID 1260892
2-(4-amino-2-chlorophenoxy)acetamide
CID 16790617
2-(4-formyl-2-nitrophenoxy)acetamide
CID 43082663
2-[2-chloro-4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]phenoxy]acetamide
CID 168599937
1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene
CID 709688
2-chloro-1-fluoro-4-[(E)-2-nitroethenyl]benzene
CID 66807417
N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-methyloxamide
CID 8990228
[2-methoxy-5-(2-nitroethenyl)phenyl] acetate
CID 131865778
(E)-3-[4-(3-amino-3-oxopropoxy)-3-chlorophenyl]prop-2-enoic acid
CID 55207743
2-[2-chloro-4-(2-nitrobut-1-enyl)phenoxy]acetic acid
CID 154093782
2-(2,4-dichlorophenoxy)acetamide;pyrimidine
CID 161375836

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(2-nitroethenyl)phenoxy]acetamide?
The IUPAC name of 2-[2-chloro-4-(2-nitroethenyl)phenoxy]acetamide (CID 3597054) is 2-[2-chloro-4-(2-nitroethenyl)phenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-4-(2-nitroethenyl)phenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-4-(2-nitroethenyl)phenoxy]acetamide is NC(=O)COc1ccc(C=C[N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(2-nitroethenyl)phenoxy]acetamide?
The InChIKey is WFEGOTAUXDKLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O4/c11-8-5-7(3-4-13(15)16)1-2-9(8)17-6-10(12)14/h1-5H,6H2,(H2,12,14).
What are the key properties of 2-[2-chloro-4-(2-nitroethenyl)phenoxy]acetamide?
2-[2-chloro-4-(2-nitroethenyl)phenoxy]acetamide has a molecular weight of 256.64 g/mol, XLogP of 1.45, 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-(2-nitroethenyl)phenoxy]acetamide is sourced from PubChem (CID 3597054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).