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

C18H19N3O4 — CID 888916

IUPAC2-(4-nitrophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1N1CCCC1
InChIInChI=1S/C18H19N3O4/c22-18(13-25-15-9-7-14(8-10-15)21(23)24)19-16-5-1-2-6-17(16)20-11-3-4-12-20/h1-2,5-10H,3-4,11-13H2,(H,19,22)
InChIKeyONVSMLJQBWCMJK-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.21
Rot. Bonds6

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

2-(4-nitrophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 888916) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
PubChem CID888916
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-(4-nitrophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1N1CCCC1
InChIInChI=1S/C18H19N3O4/c22-18(13-25-15-9-7-14(8-10-15)21(23)24)19-16-5-1-2-6-17(16)20-11-3-4-12-20/h1-2,5-10H,3-4,11-13H2,(H,19,22)
InChIKeyONVSMLJQBWCMJK-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(4-nitrophenoxy)acetamide
CID 39381273
N-(3-chloro-2-piperidin-1-ylphenyl)-2-(4-nitrophenoxy)acetamide
CID 1252873
(4-nitrophenyl) N-(2-pyrrolidin-1-ylphenyl)carbamate
CID 67033509
2-(4-nitrophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 4936008
N-[2-(azepan-1-yl)phenyl]-2-(4-formylphenoxy)acetamide
CID 78878320
2-(4-propanoylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 2714751
2-naphthalen-2-yloxy-N-(2-piperidin-1-ylphenyl)acetamide
CID 2006723
N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243
2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 717631
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 18084207
N-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide
CID 1293567
N-(2-methylsulfanylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2632387

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide (CID 888916) is 2-(4-nitrophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1N1CCCC1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is ONVSMLJQBWCMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-18(13-25-15-9-7-14(8-10-15)21(23)24)19-16-5-1-2-6-17(16)20-11-3-4-12-20/h1-2,5-10H,3-4,11-13H2,(H,19,22).
What are the key properties of 2-(4-nitrophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
2-(4-nitrophenoxy)-N-(2-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-(2-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 888916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).