2-nitro-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide

C14H19N3O3 — CID 94671216

IUPAC2-nitro-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
SMILESC[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])N1CCCC1
InChIInChI=1S/C14H19N3O3/c1-11(16-8-4-5-9-16)10-15-14(18)12-6-2-3-7-13(12)17(19)20/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,15,18)/t11-/m1/s1
InChIKeyAOCVPNXQSZWWML-LLVKDONJSA-N
MW277.32 g/mol
LogP1.81
Rot. Bonds5

About 2-nitro-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide

2-nitro-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide (PubChem CID 94671216) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-nitro-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide.

Molecular Properties

Compound Name2-nitro-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
PubChem CID94671216
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-nitro-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
SMILESC[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])N1CCCC1
InChIInChI=1S/C14H19N3O3/c1-11(16-8-4-5-9-16)10-15-14(18)12-6-2-3-7-13(12)17(19)20/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,15,18)/t11-/m1/s1
InChIKeyAOCVPNXQSZWWML-LLVKDONJSA-N
XLogP1.81
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.81
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-amino-3-nitro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 115678974
2,3-dihydroxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 114344224
2-nitro-N-(2-piperidin-1-ylpropyl)aniline
CID 61018070
2,3-difluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 78918066
2-nitro-N-[(2R)-2-phenylpropyl]benzamide
CID 679490
N-(2-bromo-2-phenylethyl)-2-nitrobenzamide
CID 114308249
N-(2-amino-3-hydroxybutyl)-2-nitrobenzamide
CID 64540819
3-methyl-4-[(2-nitrobenzoyl)amino]butanoic acid
CID 81063337
3-bromo-2-methyl-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 79035923
2-fluoro-3-methyl-N-(2-piperidin-1-ylpropyl)benzamide
CID 80718351
N-(2-methyl-4-oxobutyl)-2-nitrobenzamide
CID 175276651
2-nitro-N-[(1S)-2,2,2-trichloro-1-piperidin-1-ylethyl]benzamide
CID 1204588

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide?
The IUPAC name of 2-nitro-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide (CID 94671216) is 2-nitro-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide.
What is the SMILES notation for 2-nitro-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide?
The canonical SMILES for 2-nitro-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide is C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])N1CCCC1.
What is the InChIKey of 2-nitro-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide?
The InChIKey is AOCVPNXQSZWWML-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-11(16-8-4-5-9-16)10-15-14(18)12-6-2-3-7-13(12)17(19)20/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,15,18)/t11-/m1/s1.
What are the key properties of 2-nitro-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide?
2-nitro-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide has a molecular weight of 277.32 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide is sourced from PubChem (CID 94671216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).