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

C19H29FN2O4 — CID 23276775

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-fluoropropyl)-2-hydroxy-5,6-dimethoxybenzamide
SMILESCCN1CCCC1CNC(=O)c1c(O)c(CCCF)cc(OC)c1OC
InChIInChI=1S/C19H29FN2O4/c1-4-22-10-6-8-14(22)12-21-19(24)16-17(23)13(7-5-9-20)11-15(25-2)18(16)26-3/h11,14,23H,4-10,12H2,1-3H3,(H,21,24)
InChIKeyCUVDIPGTXCBTQZ-UHFFFAOYSA-N
MW368.45 g/mol
LogP2.53
Rot. Bonds9

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-fluoropropyl)-2-hydroxy-5,6-dimethoxybenzamide (PubChem CID 23276775) has the molecular formula C19H29FN2O4 and a molecular weight of 368.45 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-fluoropropyl)-2-hydroxy-5,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-fluoropropyl)-2-hydroxy-5,6-dimethoxybenzamide
PubChem CID23276775
Molecular FormulaC19H29FN2O4
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-fluoropropyl)-2-hydroxy-5,6-dimethoxybenzamide
SMILESCCN1CCCC1CNC(=O)c1c(O)c(CCCF)cc(OC)c1OC
InChIInChI=1S/C19H29FN2O4/c1-4-22-10-6-8-14(22)12-21-19(24)16-17(23)13(7-5-9-20)11-15(25-2)18(16)26-3/h11,14,23H,4-10,12H2,1-3H3,(H,21,24)
InChIKeyCUVDIPGTXCBTQZ-UHFFFAOYSA-N
XLogP2.53
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(2-fluoroethyl)-2-hydroxy-5,6-dimethoxybenzamide
CID 23276629
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

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-fluoropropyl)-2-hydroxy-5,6-dimethoxybenzamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-fluoropropyl)-2-hydroxy-5,6-dimethoxybenzamide (CID 23276775) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-fluoropropyl)-2-hydroxy-5,6-dimethoxybenzamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-fluoropropyl)-2-hydroxy-5,6-dimethoxybenzamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-fluoropropyl)-2-hydroxy-5,6-dimethoxybenzamide is CCN1CCCC1CNC(=O)c1c(O)c(CCCF)cc(OC)c1OC.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-fluoropropyl)-2-hydroxy-5,6-dimethoxybenzamide?
The InChIKey is CUVDIPGTXCBTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O4/c1-4-22-10-6-8-14(22)12-21-19(24)16-17(23)13(7-5-9-20)11-15(25-2)18(16)26-3/h11,14,23H,4-10,12H2,1-3H3,(H,21,24).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-fluoropropyl)-2-hydroxy-5,6-dimethoxybenzamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-fluoropropyl)-2-hydroxy-5,6-dimethoxybenzamide has a molecular weight of 368.45 g/mol, XLogP of 2.53, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-fluoropropyl)-2-hydroxy-5,6-dimethoxybenzamide is sourced from PubChem (CID 23276775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).