2-[4-(3-nitrobenzoyl)phenoxy]-N-pyridin-3-ylacetamide

C20H15N3O5 — CID 167432641

IUPAC2-[4-(3-nitrobenzoyl)phenoxy]-N-pyridin-3-ylacetamide
SMILESO=C(COc1ccc(C(=O)c2cccc([N+](=O)[O-])c2)cc1)Nc1cccnc1
InChIInChI=1S/C20H15N3O5/c24-19(22-16-4-2-10-21-12-16)13-28-18-8-6-14(7-9-18)20(25)15-3-1-5-17(11-15)23(26)27/h1-12H,13H2,(H,22,24)
InChIKeyMWZYYQRVWDIOSJ-UHFFFAOYSA-N
MW377.36 g/mol
LogP3.24
Rot. Bonds7

About 2-[4-(3-nitrobenzoyl)phenoxy]-N-pyridin-3-ylacetamide

2-[4-(3-nitrobenzoyl)phenoxy]-N-pyridin-3-ylacetamide (PubChem CID 167432641) has the molecular formula C20H15N3O5 and a molecular weight of 377.36 g/mol. Its IUPAC name is 2-[4-(3-nitrobenzoyl)phenoxy]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[4-(3-nitrobenzoyl)phenoxy]-N-pyridin-3-ylacetamide
PubChem CID167432641
Molecular FormulaC20H15N3O5
Molecular Weight377.36 g/mol
Exact Mass377.10
IUPAC Name2-[4-(3-nitrobenzoyl)phenoxy]-N-pyridin-3-ylacetamide
SMILESO=C(COc1ccc(C(=O)c2cccc([N+](=O)[O-])c2)cc1)Nc1cccnc1
InChIInChI=1S/C20H15N3O5/c24-19(22-16-4-2-10-21-12-16)13-28-18-8-6-14(7-9-18)20(25)15-3-1-5-17(11-15)23(26)27/h1-12H,13H2,(H,22,24)
InChIKeyMWZYYQRVWDIOSJ-UHFFFAOYSA-N
XLogP3.24
TPSA111.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-nitro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide
CID 26591854
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 55610642
2-(4-benzoyl-3-bromophenoxy)-N-pyridin-3-ylacetamide
CID 127042058
2-[4-(2-bromo-5-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide
CID 162651453
[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] acetate
CID 17341790
2-(4-cyanophenoxy)-N-pyridin-3-ylacetamide
CID 24707250
N-[3-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39188511
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
N-(3-nitrophenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 7965634
2-(3-nitrophenoxy)-N-(3-phenoxyphenyl)acetamide
CID 51480450
2-(3,5-dichlorophenoxy)-N-pyridin-3-ylacetamide
CID 75422770

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-nitrobenzoyl)phenoxy]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[4-(3-nitrobenzoyl)phenoxy]-N-pyridin-3-ylacetamide (CID 167432641) is 2-[4-(3-nitrobenzoyl)phenoxy]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[4-(3-nitrobenzoyl)phenoxy]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[4-(3-nitrobenzoyl)phenoxy]-N-pyridin-3-ylacetamide is O=C(COc1ccc(C(=O)c2cccc([N+](=O)[O-])c2)cc1)Nc1cccnc1.
What is the InChIKey of 2-[4-(3-nitrobenzoyl)phenoxy]-N-pyridin-3-ylacetamide?
The InChIKey is MWZYYQRVWDIOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O5/c24-19(22-16-4-2-10-21-12-16)13-28-18-8-6-14(7-9-18)20(25)15-3-1-5-17(11-15)23(26)27/h1-12H,13H2,(H,22,24).
What are the key properties of 2-[4-(3-nitrobenzoyl)phenoxy]-N-pyridin-3-ylacetamide?
2-[4-(3-nitrobenzoyl)phenoxy]-N-pyridin-3-ylacetamide has a molecular weight of 377.36 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-nitrobenzoyl)phenoxy]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 167432641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).