2-(4-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide

C13H17N3O3 — CID 55084672

IUPAC2-(4-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NCC1CCCN1
InChIInChI=1S/C13H17N3O3/c17-13(15-9-11-2-1-7-14-11)8-10-3-5-12(6-4-10)16(18)19/h3-6,11,14H,1-2,7-9H2,(H,15,17)
InChIKeyLVUYJFWYZXUZSN-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.01
Rot. Bonds5

About 2-(4-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide

2-(4-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide (PubChem CID 55084672) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
PubChem CID55084672
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-(4-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NCC1CCCN1
InChIInChI=1S/C13H17N3O3/c17-13(15-9-11-2-1-7-14-11)8-10-3-5-12(6-4-10)16(18)19/h3-6,11,14H,1-2,7-9H2,(H,15,17)
InChIKeyLVUYJFWYZXUZSN-UHFFFAOYSA-N
XLogP1.01
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
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-(3-nitrophenyl)-N-(piperidin-2-ylmethyl)acetamide
CID 115736889
2-(4-iodophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide
CID 67166754
2-(2-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62541799
2-chloro-5-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62539858
N-[4-(4-nitrophenyl)butyl]-2-pyrrolidin-2-ylacetamide
CID 119778328
2-[4-(difluoromethylsulfonyl)phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119511600
2-(3,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 63045287
2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119509770
5-nitro-N-(pyrrolidin-2-ylmethyl)-1H-indazole-3-carboxamide
CID 119510662
2-(2,3-dihydro-1H-inden-5-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119510465
N-[2-(4-nitrophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79540548
1-methyl-3-(4-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119510745

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide (CID 55084672) is 2-(4-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)NCC1CCCN1.
What is the InChIKey of 2-(4-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide?
The InChIKey is LVUYJFWYZXUZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-13(15-9-11-2-1-7-14-11)8-10-3-5-12(6-4-10)16(18)19/h3-6,11,14H,1-2,7-9H2,(H,15,17).
What are the key properties of 2-(4-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide?
2-(4-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide has a molecular weight of 263.30 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide is sourced from PubChem (CID 55084672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).