2-(4-chlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide

C16H16ClN3O4 — CID 4825738

IUPAC2-(4-chlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16ClN3O4/c17-12-1-7-15(8-2-12)24-11-16(21)19-10-9-18-13-3-5-14(6-4-13)20(22)23/h1-8,18H,9-11H2,(H,19,21)
InChIKeyQRLFUFAGCNHXQE-UHFFFAOYSA-N
MW349.77 g/mol
LogP2.86
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide

2-(4-chlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide (PubChem CID 4825738) has the molecular formula C16H16ClN3O4 and a molecular weight of 349.77 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide
PubChem CID4825738
Molecular FormulaC16H16ClN3O4
Molecular Weight349.77 g/mol
Exact Mass349.08
IUPAC Name2-(4-chlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16ClN3O4/c17-12-1-7-15(8-2-12)24-11-16(21)19-10-9-18-13-3-5-14(6-4-13)20(22)23/h1-8,18H,9-11H2,(H,19,21)
InChIKeyQRLFUFAGCNHXQE-UHFFFAOYSA-N
XLogP2.86
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-(4-chlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide (CID 4825738) is 2-(4-chlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide is O=C(COc1ccc(Cl)cc1)NCCNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide?
The InChIKey is QRLFUFAGCNHXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O4/c17-12-1-7-15(8-2-12)24-11-16(21)19-10-9-18-13-3-5-14(6-4-13)20(22)23/h1-8,18H,9-11H2,(H,19,21).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide has a molecular weight of 349.77 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(4-nitroanilino)ethyl]acetamide is sourced from PubChem (CID 4825738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).