2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)acetamide

C14H10Cl2N2O4 — CID 2994198

IUPAC2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)acetamide
SMILESO=C(COc1cccc(Cl)c1Cl)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H10Cl2N2O4/c15-11-5-2-6-12(14(11)16)22-8-13(19)17-9-3-1-4-10(7-9)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyQPGFHKDDKOUEEI-UHFFFAOYSA-N
MW341.15 g/mol
LogP3.92
Rot. Bonds5

About 2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)acetamide

2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)acetamide (PubChem CID 2994198) has the molecular formula C14H10Cl2N2O4 and a molecular weight of 341.15 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)acetamide
PubChem CID2994198
Molecular FormulaC14H10Cl2N2O4
Molecular Weight341.15 g/mol
Exact Mass340.00
IUPAC Name2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)acetamide
SMILESO=C(COc1cccc(Cl)c1Cl)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H10Cl2N2O4/c15-11-5-2-6-12(14(11)16)22-8-13(19)17-9-3-1-4-10(7-9)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyQPGFHKDDKOUEEI-UHFFFAOYSA-N
XLogP3.92
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 53.92
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

N-(3-nitrophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 1311598
2-(2-chloro-6-methylphenoxy)-N-(3-nitrophenyl)acetamide
CID 38113149
[2-(3-nitroanilino)-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 18288310
N-(3-nitrophenyl)-2-(2-phenylphenoxy)acetamide
CID 7779991
2-(2-acetamido-5-acetylphenoxy)-N-(3-nitrophenyl)acetamide
CID 24533995
2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 42990450
N-(3-acetylphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 2513244
3-(2,3-dichlorophenyl)-N-(3-nitrophenyl)propanamide
CID 38925954
[2-(3-nitroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633461
2-(2,3-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 30157512
2-(2,3-dichlorophenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 7787801
2-(3,5-dimethylphenoxy)-N-(3-nitrophenyl)acetamide
CID 926852

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)acetamide (CID 2994198) is 2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)acetamide is O=C(COc1cccc(Cl)c1Cl)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)acetamide?
The InChIKey is QPGFHKDDKOUEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O4/c15-11-5-2-6-12(14(11)16)22-8-13(19)17-9-3-1-4-10(7-9)18(20)21/h1-7H,8H2,(H,17,19).
What are the key properties of 2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)acetamide?
2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)acetamide has a molecular weight of 341.15 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenoxy)-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 2994198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).