2-(4-nitrophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide

C18H19N3O4 — CID 806823

IUPAC2-(4-nitrophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H19N3O4/c22-18(13-25-17-9-7-16(8-10-17)21(23)24)19-14-3-5-15(6-4-14)20-11-1-2-12-20/h3-10H,1-2,11-13H2,(H,19,22)
InChIKeyHSKHKLXLFDFHLS-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.21
Rot. Bonds6

About 2-(4-nitrophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-(4-nitrophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 806823) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID806823
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-(4-nitrophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H19N3O4/c22-18(13-25-17-9-7-16(8-10-17)21(23)24)19-14-3-5-15(6-4-14)20-11-1-2-12-20/h3-10H,1-2,11-13H2,(H,19,22)
InChIKeyHSKHKLXLFDFHLS-UHFFFAOYSA-N
XLogP3.21
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-nitrophenyl)-2-phenoxyacetamide
CID 309593
Acetanilide, 4'-(p-nitrophenoxy)-
CID 165015
N-(3-nitrophenyl)-2-phenoxypropanamide
CID 2891445
N-(5-Methoxy-2-pyrrolidin-1-yl-phenyl)-2-phenoxy-acetamide
CID 6496962
2-phenoxy-N-[2-(pyrrolidin-1-yl)phenyl]butanamide
CID 24817934
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-nitrophenoxy)acetamide
CID 2946222
[2-(4-Nitro-phenoxy)-ethyl]-(3-phenoxy-propyl)-amine
CID 10805355
N-(4-acetamidophenyl)-2-phenoxy-N-((R)-pyrrolidin-2-ylmethyl)propanamide
CID 44580031
1-(2-(4-(4-Nitrophenoxy)phenoxy)ethyl)pyrrolidine
CID 49804919
n-{4-[2-(4-Nitrophenoxy)ethoxy]phenyl}acetamide
CID 274542
1-(2-(4-Nitrophenoxy)acetyl)pyrrolidin-2-one
CID 482237
2-(4-ethoxyphenoxy)-N-(4-methoxyphenyl)acetamide
CID 732610

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 806823) is 2-(4-nitrophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is HSKHKLXLFDFHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-18(13-25-17-9-7-16(8-10-17)21(23)24)19-14-3-5-15(6-4-14)20-11-1-2-12-20/h3-10H,1-2,11-13H2,(H,19,22).
What are the key properties of 2-(4-nitrophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-(4-nitrophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 341.37 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 806823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).