5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride

C15H22Cl2N2O3 — CID 164613651

IUPAC5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride
SMILESCCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2)c1O.Cl
InChIInChI=1S/C15H21ClN2O3.ClH/c1-3-9-7-11(16)14(21-2)12(13(9)19)15(20)18-8-10-5-4-6-17-10;/h7,10,17,19H,3-6,8H2,1-2H3,(H,18,20);1H/t10-;/m0./s1
InChIKeyYIKQBBPHPBPWCJ-PPHPATTJSA-N
MW349.26 g/mol
LogP2.52
Rot. Bonds5

About 5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride

5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride (PubChem CID 164613651) has the molecular formula C15H22Cl2N2O3 and a molecular weight of 349.26 g/mol. Its IUPAC name is 5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride
PubChem CID164613651
Molecular FormulaC15H22Cl2N2O3
Molecular Weight349.26 g/mol
Exact Mass348.10
IUPAC Name5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride
SMILESCCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2)c1O.Cl
InChIInChI=1S/C15H21ClN2O3.ClH/c1-3-9-7-11(16)14(21-2)12(13(9)19)15(20)18-8-10-5-4-6-17-10;/h7,10,17,19H,3-6,8H2,1-2H3,(H,18,20);1H/t10-;/m0./s1
InChIKeyYIKQBBPHPBPWCJ-PPHPATTJSA-N
XLogP2.52
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride?
The IUPAC name of 5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride (CID 164613651) is 5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride.
What is the SMILES notation for 5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride?
The canonical SMILES for 5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride is CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2)c1O.Cl.
What is the InChIKey of 5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride?
The InChIKey is YIKQBBPHPBPWCJ-PPHPATTJSA-N. The full InChI is InChI=1S/C15H21ClN2O3.ClH/c1-3-9-7-11(16)14(21-2)12(13(9)19)15(20)18-8-10-5-4-6-17-10;/h7,10,17,19H,3-6,8H2,1-2H3,(H,18,20);1H/t10-;/m0./s1.
What are the key properties of 5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride?
5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride has a molecular weight of 349.26 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride is sourced from PubChem (CID 164613651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).