4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride

C13H19ClN2O2 — CID 119453188

IUPAC4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCOc1ccc(C(=O)NC2CCNC2)cc1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-2-17-12-5-3-10(4-6-12)13(16)15-11-7-8-14-9-11;/h3-6,11,14H,2,7-9H2,1H3,(H,15,16);1H
InChIKeyAKCGKGVYHUDQQN-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.60
Rot. Bonds4

About 4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride

4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119453188) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119453188
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCOc1ccc(C(=O)NC2CCNC2)cc1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-2-17-12-5-3-10(4-6-12)13(16)15-11-7-8-14-9-11;/h3-6,11,14H,2,7-9H2,1H3,(H,15,16);1H
InChIKeyAKCGKGVYHUDQQN-UHFFFAOYSA-N
XLogP1.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride 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-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453192
4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689710
4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
3-ethoxy-4-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119452708
(E)-3-(4-ethoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide
CID 82176955
4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453836
3-bromo-4-ethoxy-5-methoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449468
4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689032
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
4-decyl-N-[(3S)-pyrrolidin-3-yl]benzamide;hydrochloride
CID 162755757
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
4-butoxy-3-ethoxy-N-piperidin-3-ylbenzamide
CID 119426765

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119453188) is 4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride is CCOc1ccc(C(=O)NC2CCNC2)cc1.Cl.
What is the InChIKey of 4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is AKCGKGVYHUDQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c1-2-17-12-5-3-10(4-6-12)13(16)15-11-7-8-14-9-11;/h3-6,11,14H,2,7-9H2,1H3,(H,15,16);1H.
What are the key properties of 4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride?
4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119453188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).