2-(2-nitrophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide

C19H21N3O3 — CID 43064994

IUPAC2-(2-nitrophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C19H21N3O3/c23-19(12-16-6-4-5-9-18(16)22(24)25)20-13-15-10-11-21(14-15)17-7-2-1-3-8-17/h1-9,15H,10-14H2,(H,20,23)
InChIKeySJPRPBGFXGFJCQ-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.78
Rot. Bonds6

About 2-(2-nitrophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide

2-(2-nitrophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide (PubChem CID 43064994) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
PubChem CID43064994
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-(2-nitrophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C19H21N3O3/c23-19(12-16-6-4-5-9-18(16)22(24)25)20-13-15-10-11-21(14-15)17-7-2-1-3-8-17/h1-9,15H,10-14H2,(H,20,23)
InChIKeySJPRPBGFXGFJCQ-UHFFFAOYSA-N
XLogP2.78
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.78
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-(1-phenylpiperidin-4-yl)acetamide
CID 60566297
3-hydroxy-4-nitro-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 38442258
2-(4-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 119854864
3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 120612518
[(3R)-1-(4-nitrophenyl)pyrrolidin-3-yl]methylcarbamic acid
CID 67148678
2-(2-hydroxyphenyl)sulfanyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 97220298
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
2-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 124786505
3-(2,3-dichlorophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 46453922
N-[3-oxo-3-[(1-phenylpyrrolidin-3-yl)methylamino]propyl]pyridine-4-carboxamide
CID 47055371
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
6-methyl-3-nitro-2-oxo-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-1H-pyridine-4-carboxamide
CID 124877536

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?
The IUPAC name of 2-(2-nitrophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide (CID 43064994) is 2-(2-nitrophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-nitrophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2-nitrophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide is O=C(Cc1ccccc1[N+](=O)[O-])NCC1CCN(c2ccccc2)C1.
What is the InChIKey of 2-(2-nitrophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?
The InChIKey is SJPRPBGFXGFJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-19(12-16-6-4-5-9-18(16)22(24)25)20-13-15-10-11-21(14-15)17-7-2-1-3-8-17/h1-9,15H,10-14H2,(H,20,23).
What are the key properties of 2-(2-nitrophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide?
2-(2-nitrophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide has a molecular weight of 339.40 g/mol, XLogP of 2.78, 6 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-phenylpyrrolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 43064994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).