5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]benzamide

C18H27ClN2O3 — CID 164622709

IUPAC5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]benzamide
SMILESCCCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC
InChIInChI=1S/C18H27ClN2O3/c1-4-8-21-9-6-7-13(21)11-20-18(23)15-16(22)12(5-2)10-14(19)17(15)24-3/h10,13,22H,4-9,11H2,1-3H3,(H,20,23)/t13-/m0/s1
InChIKeyIJKCMXOYXRJELY-ZDUSSCGKSA-N
MW354.88 g/mol
LogP3.22
Rot. Bonds7

About 5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]benzamide

5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]benzamide (PubChem CID 164622709) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is 5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]benzamide
PubChem CID164622709
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC Name5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]benzamide
SMILESCCCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC
InChIInChI=1S/C18H27ClN2O3/c1-4-8-21-9-6-7-13(21)11-20-18(23)15-16(22)12(5-2)10-14(19)17(15)24-3/h10,13,22H,4-9,11H2,1-3H3,(H,20,23)/t13-/m0/s1
InChIKeyIJKCMXOYXRJELY-ZDUSSCGKSA-N
XLogP3.22
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]benzamide?
The IUPAC name of 5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]benzamide (CID 164622709) is 5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]benzamide.
What is the SMILES notation for 5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]benzamide?
The canonical SMILES for 5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]benzamide is CCCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC.
What is the InChIKey of 5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]benzamide?
The InChIKey is IJKCMXOYXRJELY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H27ClN2O3/c1-4-8-21-9-6-7-13(21)11-20-18(23)15-16(22)12(5-2)10-14(19)17(15)24-3/h10,13,22H,4-9,11H2,1-3H3,(H,20,23)/t13-/m0/s1.
What are the key properties of 5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]benzamide?
5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-1-propylpyrrolidin-2-yl]methyl]benzamide has a molecular weight of 354.88 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 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)-1-propylpyrrolidin-2-yl]methyl]benzamide is sourced from PubChem (CID 164622709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).