2-(3-chlorophenoxy)-N-(5-nitro-2-pyridinyl)propanamide

C14H12ClN3O4 — CID 2932567

IUPAC2-(3-chlorophenoxy)-N-(5-nitro-2-pyridinyl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H12ClN3O4/c1-9(22-12-4-2-3-10(15)7-12)14(19)17-13-6-5-11(8-16-13)18(20)21/h2-9H,1H3,(H,16,17,19)
InChIKeyQUSJIYKPVQUEGO-UHFFFAOYSA-N
MW321.72 g/mol
LogP3.05
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-(5-nitro-2-pyridinyl)propanamide

2-(3-chlorophenoxy)-N-(5-nitro-2-pyridinyl)propanamide (PubChem CID 2932567) has the molecular formula C14H12ClN3O4 and a molecular weight of 321.72 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(5-nitro-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(5-nitro-2-pyridinyl)propanamide
PubChem CID2932567
Molecular FormulaC14H12ClN3O4
Molecular Weight321.72 g/mol
Exact Mass321.05
IUPAC Name2-(3-chlorophenoxy)-N-(5-nitro-2-pyridinyl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H12ClN3O4/c1-9(22-12-4-2-3-10(15)7-12)14(19)17-13-6-5-11(8-16-13)18(20)21/h2-9H,1H3,(H,16,17,19)
InChIKeyQUSJIYKPVQUEGO-UHFFFAOYSA-N
XLogP3.05
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.72
LogP ≤ 53.05
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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Related Compounds

N-(5-chloropyridin-2-yl)-2-phenoxyacetamide
CID 738246
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 2129011
N-[2-(2-chlorophenoxy)ethyl]-5-nitro-2-pyridinamine
CID 2975218
N-(4-chloro-2-fluorophenyl)-2-(2-nitropyridin-3-yl)oxyacetamide
CID 4373372
N-(4-fluorophenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 16303843
2-(4-chlorophenoxy)-N-(5-chloropyridin-2-yl)acetamide
CID 646465
2-(2-chlorophenoxy)-N-(5-chloro-2-pyridinyl)acetamide
CID 883796
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 3-phenoxypropanoate
CID 2109809
N-(5-methylpyridin-2-yl)-2-(2-nitrophenoxy)acetamide
CID 2319869
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(2-methoxyanilino)propanoate
CID 2418919
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 17550691
N-(2-ethoxyphenyl)-2-(2-nitropyridin-3-yl)oxyacetamide
CID 3890772

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(5-nitro-2-pyridinyl)propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(5-nitro-2-pyridinyl)propanamide (CID 2932567) is 2-(3-chlorophenoxy)-N-(5-nitro-2-pyridinyl)propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(5-nitro-2-pyridinyl)propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(5-nitro-2-pyridinyl)propanamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(5-nitro-2-pyridinyl)propanamide?
The InChIKey is QUSJIYKPVQUEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O4/c1-9(22-12-4-2-3-10(15)7-12)14(19)17-13-6-5-11(8-16-13)18(20)21/h2-9H,1H3,(H,16,17,19).
What are the key properties of 2-(3-chlorophenoxy)-N-(5-nitro-2-pyridinyl)propanamide?
2-(3-chlorophenoxy)-N-(5-nitro-2-pyridinyl)propanamide has a molecular weight of 321.72 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(5-nitro-2-pyridinyl)propanamide is sourced from PubChem (CID 2932567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).