N-[2-(2,4-dichlorophenyl)ethyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide

C15H13Cl2N3O4 — CID 3991096

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESO=C(COc1cccnc1[N+](=O)[O-])NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2N3O4/c16-11-4-3-10(12(17)8-11)5-7-18-14(21)9-24-13-2-1-6-19-15(13)20(22)23/h1-4,6,8H,5,7,9H2,(H,18,21)
InChIKeyCCWATUMVZDEZAM-UHFFFAOYSA-N
MW370.19 g/mol
LogP3.03
Rot. Bonds7

About N-[2-(2,4-dichlorophenyl)ethyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide

N-[2-(2,4-dichlorophenyl)ethyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide (PubChem CID 3991096) has the molecular formula C15H13Cl2N3O4 and a molecular weight of 370.19 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
PubChem CID3991096
Molecular FormulaC15H13Cl2N3O4
Molecular Weight370.19 g/mol
Exact Mass369.03
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
SMILESO=C(COc1cccnc1[N+](=O)[O-])NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H13Cl2N3O4/c16-11-4-3-10(12(17)8-11)5-7-18-14(21)9-24-13-2-1-6-19-15(13)20(22)23/h1-4,6,8H,5,7,9H2,(H,18,21)
InChIKeyCCWATUMVZDEZAM-UHFFFAOYSA-N
XLogP3.03
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 53.03
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide (CID 3991096) is N-[2-(2,4-dichlorophenyl)ethyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide is O=C(COc1cccnc1[N+](=O)[O-])NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
The InChIKey is CCWATUMVZDEZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O4/c16-11-4-3-10(12(17)8-11)5-7-18-14(21)9-24-13-2-1-6-19-15(13)20(22)23/h1-4,6,8H,5,7,9H2,(H,18,21).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide?
N-[2-(2,4-dichlorophenyl)ethyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide has a molecular weight of 370.19 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide is sourced from PubChem (CID 3991096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).