4-ethoxy-3-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide

C20H23N3O4 — CID 35614054

IUPAC4-ethoxy-3-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H23N3O4/c1-2-27-19-10-7-16(13-18(19)23(25)26)20(24)21-14-15-5-8-17(9-6-15)22-11-3-4-12-22/h5-10,13H,2-4,11-12,14H2,1H3,(H,21,24)
InChIKeyFGSGUQICPWGSGG-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.52
Rot. Bonds7

About 4-ethoxy-3-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide

4-ethoxy-3-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide (PubChem CID 35614054) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-ethoxy-3-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-3-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
PubChem CID35614054
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name4-ethoxy-3-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H23N3O4/c1-2-27-19-10-7-16(13-18(19)23(25)26)20(24)21-14-15-5-8-17(9-6-15)22-11-3-4-12-22/h5-10,13H,2-4,11-12,14H2,1H3,(H,21,24)
InChIKeyFGSGUQICPWGSGG-UHFFFAOYSA-N
XLogP3.52
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-ethoxy-3-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide 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

4-ethoxy-3-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 100576325
N-(1,3-benzodioxol-5-ylmethyl)-4-ethoxy-3-nitrobenzamide
CID 9391669
4-ethoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-nitrobenzamide
CID 2196430
4-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-3-nitrobenzamide
CID 99970857
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 27332271
N-[(3,4-diethoxyphenyl)methyl]-4-methyl-3-nitrobenzamide
CID 99997707
4-methyl-3-nitro-N-[(4-thiomorpholin-4-ylphenyl)methyl]benzamide
CID 55854679
4-ethoxy-3-methyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzamide
CID 133160362
4-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide
CID 39752666
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethoxy-3-nitrobenzamide
CID 9392573
4-ethoxy-N-(3-methoxypropyl)-3-nitrobenzamide
CID 39752649
4-methyl-3-nitro-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 37482686

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide?
The IUPAC name of 4-ethoxy-3-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide (CID 35614054) is 4-ethoxy-3-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 4-ethoxy-3-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 4-ethoxy-3-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide is CCOc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-ethoxy-3-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide?
The InChIKey is FGSGUQICPWGSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-2-27-19-10-7-16(13-18(19)23(25)26)20(24)21-14-15-5-8-17(9-6-15)22-11-3-4-12-22/h5-10,13H,2-4,11-12,14H2,1H3,(H,21,24).
What are the key properties of 4-ethoxy-3-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide?
4-ethoxy-3-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide has a molecular weight of 369.42 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-nitro-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 35614054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).