2-methoxy-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide

C14H19N3O4 — CID 119537862

IUPAC2-methoxy-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)NCCC1CCNC1
InChIInChI=1S/C14H19N3O4/c1-21-13-3-2-11(17(19)20)8-12(13)14(18)16-7-5-10-4-6-15-9-10/h2-3,8,10,15H,4-7,9H2,1H3,(H,16,18)
InChIKeyLNZZPPSTWYJSCS-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.33
Rot. Bonds6

About 2-methoxy-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide

2-methoxy-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 119537862) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-methoxy-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name2-methoxy-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID119537862
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-methoxy-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)NCCC1CCNC1
InChIInChI=1S/C14H19N3O4/c1-21-13-3-2-11(17(19)20)8-12(13)14(18)16-7-5-10-4-6-15-9-10/h2-3,8,10,15H,4-7,9H2,1H3,(H,16,18)
InChIKeyLNZZPPSTWYJSCS-UHFFFAOYSA-N
XLogP1.33
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
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

2-bromo-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63623606
2-methyl-4-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624159
2-methoxy-5-nitro-N-(piperidin-3-ylmethyl)benzamide
CID 119464316
2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535388
5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537854
5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119535264
2,3,4-trimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535878
4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630238
2-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 119557297
2-(4-nitrophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63630422
N-cyclopropyl-2-methoxy-5-nitrobenzamide
CID 9210144
2-(2-chloro-4-nitrophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119535731

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 2-methoxy-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 119537862) is 2-methoxy-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 2-methoxy-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 2-methoxy-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide is COc1ccc([N+](=O)[O-])cc1C(=O)NCCC1CCNC1.
What is the InChIKey of 2-methoxy-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is LNZZPPSTWYJSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-21-13-3-2-11(17(19)20)8-12(13)14(18)16-7-5-10-4-6-15-9-10/h2-3,8,10,15H,4-7,9H2,1H3,(H,16,18).
What are the key properties of 2-methoxy-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide?
2-methoxy-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 293.32 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 119537862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).