N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-fluoroethyl)-2-hydroxy-5,6-dimethoxybenzamide

C18H27FN2O4 — CID 14910582

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-fluoroethyl)-2-hydroxy-5,6-dimethoxybenzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1c(O)c(CCF)cc(OC)c1OC
InChIInChI=1S/C18H27FN2O4/c1-4-21-9-5-6-13(21)11-20-18(23)15-16(22)12(7-8-19)10-14(24-2)17(15)25-3/h10,13,22H,4-9,11H2,1-3H3,(H,20,23)/t13-/m0/s1
InChIKeyNCDPKFAUDDDXBP-ZDUSSCGKSA-N
MW354.42 g/mol
LogP2.14
Rot. Bonds8

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-fluoroethyl)-2-hydroxy-5,6-dimethoxybenzamide

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-fluoroethyl)-2-hydroxy-5,6-dimethoxybenzamide (PubChem CID 14910582) has the molecular formula C18H27FN2O4 and a molecular weight of 354.42 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-fluoroethyl)-2-hydroxy-5,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-fluoroethyl)-2-hydroxy-5,6-dimethoxybenzamide
PubChem CID14910582
Molecular FormulaC18H27FN2O4
Molecular Weight354.42 g/mol
Exact Mass354.20
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-fluoroethyl)-2-hydroxy-5,6-dimethoxybenzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1c(O)c(CCF)cc(OC)c1OC
InChIInChI=1S/C18H27FN2O4/c1-4-21-9-5-6-13(21)11-20-18(23)15-16(22)12(7-8-19)10-14(24-2)17(15)25-3/h10,13,22H,4-9,11H2,1-3H3,(H,20,23)/t13-/m0/s1
InChIKeyNCDPKFAUDDDXBP-ZDUSSCGKSA-N
XLogP2.14
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-fluoroethyl)-2-hydroxy-5,6-dimethoxybenzamide with MolForge

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Related Compounds

5-(3-Fluoropropyl)-2,3-dimethoxy-N-(((2S)-1-(2-propen-1-yl)-2-pyrrolidinyl)methyl)benzamide
CID 10021692
Ncq-298
CID 14601425
3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2-hydroxy-5,6-dimethoxy-benzamide
CID 9977478
N-(1-Ethyl-pyrrolidin-2-ylmethyl)-5-(3-fluoro-propyl)-2,3-dimethoxy-benzamide
CID 10043596
N-(1-Ethyl-pyrrolidin-2-ylmethyl)-6-hydroxy-2,3-dimethoxy-benzamide
CID 14416355
3-chloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-5,6-dimethoxybenzamide
CID 14668289
3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-5,6-dimethoxybenzamide
CID 14668300
3-bromo-N-[[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-hydroxy-5,6-dimethoxybenzamide
CID 14894163
(S)-N-((1-Ethylpyrrolidin-2-yl)methyl)-2-hydroxy-6-methoxybenzamide
CID 10956830
Benzamide, 3-ethyl-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-hydroxy-6-methoxy-, (S)-
CID 55217
N-(1-Ethyl-pyrrolidin-2-ylmethyl)-3-(3-fluoro-propyl)-2-hydroxy-5,6-dimethoxy-benzamide
CID 14894966
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxy-5-propylbenzamide
CID 15167701

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-fluoroethyl)-2-hydroxy-5,6-dimethoxybenzamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-fluoroethyl)-2-hydroxy-5,6-dimethoxybenzamide (CID 14910582) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-fluoroethyl)-2-hydroxy-5,6-dimethoxybenzamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-fluoroethyl)-2-hydroxy-5,6-dimethoxybenzamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-fluoroethyl)-2-hydroxy-5,6-dimethoxybenzamide is CCN1CCC[C@H]1CNC(=O)c1c(O)c(CCF)cc(OC)c1OC.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-fluoroethyl)-2-hydroxy-5,6-dimethoxybenzamide?
The InChIKey is NCDPKFAUDDDXBP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H27FN2O4/c1-4-21-9-5-6-13(21)11-20-18(23)15-16(22)12(7-8-19)10-14(24-2)17(15)25-3/h10,13,22H,4-9,11H2,1-3H3,(H,20,23)/t13-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-fluoroethyl)-2-hydroxy-5,6-dimethoxybenzamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-fluoroethyl)-2-hydroxy-5,6-dimethoxybenzamide has a molecular weight of 354.42 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-fluoroethyl)-2-hydroxy-5,6-dimethoxybenzamide is sourced from PubChem (CID 14910582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).