2-(4-nitrophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide

C14H19N3O3 — CID 63630422

IUPAC2-(4-nitrophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NCCC1CCNC1
InChIInChI=1S/C14H19N3O3/c18-14(16-8-6-12-5-7-15-10-12)9-11-1-3-13(4-2-11)17(19)20/h1-4,12,15H,5-10H2,(H,16,18)
InChIKeyWMCXFFCIDPTDCD-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.25
Rot. Bonds6

About 2-(4-nitrophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide

2-(4-nitrophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide (PubChem CID 63630422) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
PubChem CID63630422
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-(4-nitrophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NCCC1CCNC1
InChIInChI=1S/C14H19N3O3/c18-14(16-8-6-12-5-7-15-10-12)9-11-1-3-13(4-2-11)17(19)20/h1-4,12,15H,5-10H2,(H,16,18)
InChIKeyWMCXFFCIDPTDCD-UHFFFAOYSA-N
XLogP1.25
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.25
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-(2-chloro-4-nitrophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535731
2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119260587
2-methyl-4-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624159
2-bromo-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63623606
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094
4-nitro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564436
2-methoxy-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537862
N-(2-pyrrolidin-3-ylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride
CID 119537103
4-nitro-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 63622886
3-[(4-nitrophenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555842
2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557338
2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260712

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide (CID 63630422) is 2-(4-nitrophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)NCCC1CCNC1.
What is the InChIKey of 2-(4-nitrophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide?
The InChIKey is WMCXFFCIDPTDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-14(16-8-6-12-5-7-15-10-12)9-11-1-3-13(4-2-11)17(19)20/h1-4,12,15H,5-10H2,(H,16,18).
What are the key properties of 2-(4-nitrophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide?
2-(4-nitrophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide has a molecular weight of 277.32 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide is sourced from PubChem (CID 63630422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).