5-chloro-3-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2-hydroxy-6-methoxybenzamide;hydrochloride

C17H26Cl2N2O3 — CID 11973707

IUPAC5-chloro-3-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2-hydroxy-6-methoxybenzamide;hydrochloride
SMILESCCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCN(CC)C2)c1O.Cl
InChIInChI=1S/C17H25ClN2O3.ClH/c1-4-12-8-13(18)16(23-3)14(15(12)21)17(22)19-9-11-6-7-20(5-2)10-11;/h8,11,21H,4-7,9-10H2,1-3H3,(H,19,22);1H/t11-;/m0./s1
InChIKeyRDZXYWICCLALQM-MERQFXBCSA-N
MW377.31 g/mol
LogP3.11
Rot. Bonds6

About 5-chloro-3-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2-hydroxy-6-methoxybenzamide;hydrochloride

5-chloro-3-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2-hydroxy-6-methoxybenzamide;hydrochloride (PubChem CID 11973707) has the molecular formula C17H26Cl2N2O3 and a molecular weight of 377.31 g/mol. Its IUPAC name is 5-chloro-3-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2-hydroxy-6-methoxybenzamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-3-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2-hydroxy-6-methoxybenzamide;hydrochloride
PubChem CID11973707
Molecular FormulaC17H26Cl2N2O3
Molecular Weight377.31 g/mol
Exact Mass376.13
IUPAC Name5-chloro-3-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2-hydroxy-6-methoxybenzamide;hydrochloride
SMILESCCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCN(CC)C2)c1O.Cl
InChIInChI=1S/C17H25ClN2O3.ClH/c1-4-12-8-13(18)16(23-3)14(15(12)21)17(22)19-9-11-6-7-20(5-2)10-11;/h8,11,21H,4-7,9-10H2,1-3H3,(H,19,22);1H/t11-;/m0./s1
InChIKeyRDZXYWICCLALQM-MERQFXBCSA-N
XLogP3.11
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-3-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2-hydroxy-6-methoxybenzamide;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-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2-hydroxy-6-methoxybenzamide;hydrochloride?
The IUPAC name of 5-chloro-3-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2-hydroxy-6-methoxybenzamide;hydrochloride (CID 11973707) is 5-chloro-3-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2-hydroxy-6-methoxybenzamide;hydrochloride.
What is the SMILES notation for 5-chloro-3-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2-hydroxy-6-methoxybenzamide;hydrochloride?
The canonical SMILES for 5-chloro-3-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2-hydroxy-6-methoxybenzamide;hydrochloride is CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCN(CC)C2)c1O.Cl.
What is the InChIKey of 5-chloro-3-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2-hydroxy-6-methoxybenzamide;hydrochloride?
The InChIKey is RDZXYWICCLALQM-MERQFXBCSA-N. The full InChI is InChI=1S/C17H25ClN2O3.ClH/c1-4-12-8-13(18)16(23-3)14(15(12)21)17(22)19-9-11-6-7-20(5-2)10-11;/h8,11,21H,4-7,9-10H2,1-3H3,(H,19,22);1H/t11-;/m0./s1.
What are the key properties of 5-chloro-3-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2-hydroxy-6-methoxybenzamide;hydrochloride?
5-chloro-3-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2-hydroxy-6-methoxybenzamide;hydrochloride has a molecular weight of 377.31 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-2-hydroxy-6-methoxybenzamide;hydrochloride is sourced from PubChem (CID 11973707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).