5-chloro-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-nitrobenzamide

C15H20ClN3O4 — CID 95330193

IUPAC5-chloro-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-nitrobenzamide
SMILESCOCCN1CC[C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C15H20ClN3O4/c1-23-7-6-18-5-4-11(10-18)9-17-15(20)13-8-12(16)2-3-14(13)19(21)22/h2-3,8,11H,4-7,9-10H2,1H3,(H,17,20)/t11-/m1/s1
InChIKeyZMPLKVGUOJTSOC-LLVKDONJSA-N
MW341.80 g/mol
LogP1.95
Rot. Bonds7

About 5-chloro-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-nitrobenzamide

5-chloro-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-nitrobenzamide (PubChem CID 95330193) has the molecular formula C15H20ClN3O4 and a molecular weight of 341.80 g/mol. Its IUPAC name is 5-chloro-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-nitrobenzamide.

Molecular Properties

Compound Name5-chloro-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-nitrobenzamide
PubChem CID95330193
Molecular FormulaC15H20ClN3O4
Molecular Weight341.80 g/mol
Exact Mass341.11
IUPAC Name5-chloro-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-nitrobenzamide
SMILESCOCCN1CC[C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C15H20ClN3O4/c1-23-7-6-18-5-4-11(10-18)9-17-15(20)13-8-12(16)2-3-14(13)19(21)22/h2-3,8,11H,4-7,9-10H2,1H3,(H,17,20)/t11-/m1/s1
InChIKeyZMPLKVGUOJTSOC-LLVKDONJSA-N
XLogP1.95
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 51.95
H-Bond Donors ≤ 51
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'}

Analyze 5-chloro-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-nitrobenzamide
CID 95293738
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-methyl-4-nitrobenzamide
CID 16895526
5-chloro-2-nitro-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895834
4-chloro-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-nitrobenzamide
CID 95285833
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(methoxymethyl)benzamide
CID 95238690
5-chloro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-nitrobenzamide
CID 103804720
2-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-nitrobenzamide
CID 63737968
4-bromo-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
CID 95238744
2-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]-3-nitrobenzamide
CID 115930947
5-chloro-N-ethyl-2-nitrobenzamide
CID 3463536
5-hydroxy-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]pyridine-2-carboxamide
CID 118782526
5-chloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-nitrobenzamide
CID 16918708

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-nitrobenzamide?
The IUPAC name of 5-chloro-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-nitrobenzamide (CID 95330193) is 5-chloro-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-nitrobenzamide.
What is the SMILES notation for 5-chloro-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-nitrobenzamide?
The canonical SMILES for 5-chloro-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-nitrobenzamide is COCCN1CC[C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1.
What is the InChIKey of 5-chloro-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-nitrobenzamide?
The InChIKey is ZMPLKVGUOJTSOC-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20ClN3O4/c1-23-7-6-18-5-4-11(10-18)9-17-15(20)13-8-12(16)2-3-14(13)19(21)22/h2-3,8,11H,4-7,9-10H2,1H3,(H,17,20)/t11-/m1/s1.
What are the key properties of 5-chloro-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-nitrobenzamide?
5-chloro-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-nitrobenzamide has a molecular weight of 341.80 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-nitrobenzamide is sourced from PubChem (CID 95330193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).