2-(2-nitrophenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide

C20H23N3O3 — CID 42948492

IUPAC2-(2-nitrophenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NC(CN1CCCC1)c1ccccc1
InChIInChI=1S/C20H23N3O3/c24-20(14-17-10-4-5-11-19(17)23(25)26)21-18(15-22-12-6-7-13-22)16-8-2-1-3-9-16/h1-5,8-11,18H,6-7,12-15H2,(H,21,24)
InChIKeyDFSJENLFJUKTKN-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.09
Rot. Bonds7

About 2-(2-nitrophenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide

2-(2-nitrophenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 42948492) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID42948492
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-(2-nitrophenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NC(CN1CCCC1)c1ccccc1
InChIInChI=1S/C20H23N3O3/c24-20(14-17-10-4-5-11-19(17)23(25)26)21-18(15-22-12-6-7-13-22)16-8-2-1-3-9-16/h1-5,8-11,18H,6-7,12-15H2,(H,21,24)
InChIKeyDFSJENLFJUKTKN-UHFFFAOYSA-N
XLogP3.09
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(2-nitrophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide
CID 57020394
methyl (3S)-3-[[2-(2-nitrophenyl)acetyl]amino]-3-phenylpropanoate
CID 40856389
2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 57190770
2-[3-oxo-3-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propyl]benzoic acid
CID 57078839
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2-methyl-3-nitrophenyl)acetamide
CID 99701429
N-[1-(4-methoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide
CID 51187449
1-benzyl-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 51727871
N-(2-morpholin-4-yl-1-phenylethyl)-2-naphthalen-1-ylacetamide
CID 18166740
2-(2-nitrophenyl)-N-pentan-3-ylacetamide
CID 884922
N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-nitrophenyl)acetamide
CID 43907892
N-(1-hydroxypropan-2-yl)-2-(2-nitrophenyl)acetamide
CID 43418816
2-(2-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 51157947

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-(2-nitrophenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide (CID 42948492) is 2-(2-nitrophenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(2-nitrophenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(2-nitrophenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide is O=C(Cc1ccccc1[N+](=O)[O-])NC(CN1CCCC1)c1ccccc1.
What is the InChIKey of 2-(2-nitrophenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is DFSJENLFJUKTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-20(14-17-10-4-5-11-19(17)23(25)26)21-18(15-22-12-6-7-13-22)16-8-2-1-3-9-16/h1-5,8-11,18H,6-7,12-15H2,(H,21,24).
What are the key properties of 2-(2-nitrophenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide?
2-(2-nitrophenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 353.42 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 42948492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).