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

C19H29FN2O4 — CID 14894966

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(3-fluoropropyl)-2-hydroxy-5,6-dimethoxybenzamide
SMILESCCN1CCC[C@H]1CNC(=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)/t14-/m0/s1
InChIKeyCUVDIPGTXCBTQZ-AWEZNQCLSA-N
MW368.45 g/mol
LogP2.53
Rot. Bonds9

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

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(3-fluoropropyl)-2-hydroxy-5,6-dimethoxybenzamide (PubChem CID 14894966) has the molecular formula C19H29FN2O4 and a molecular weight of 368.45 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(3-fluoropropyl)-2-hydroxy-5,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(3-fluoropropyl)-2-hydroxy-5,6-dimethoxybenzamide
PubChem CID14894966
Molecular FormulaC19H29FN2O4
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(3-fluoropropyl)-2-hydroxy-5,6-dimethoxybenzamide
SMILESCCN1CCC[C@H]1CNC(=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)/t14-/m0/s1
InChIKeyCUVDIPGTXCBTQZ-AWEZNQCLSA-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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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(3-fluoropropyl)-2-hydroxy-5,6-dimethoxybenzamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(3-fluoropropyl)-2-hydroxy-5,6-dimethoxybenzamide (CID 14894966) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(3-fluoropropyl)-2-hydroxy-5,6-dimethoxybenzamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(3-fluoropropyl)-2-hydroxy-5,6-dimethoxybenzamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(3-fluoropropyl)-2-hydroxy-5,6-dimethoxybenzamide is CCN1CCC[C@H]1CNC(=O)c1c(O)c(CCCF)cc(OC)c1OC.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(3-fluoropropyl)-2-hydroxy-5,6-dimethoxybenzamide?
The InChIKey is CUVDIPGTXCBTQZ-AWEZNQCLSA-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)/t14-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(3-fluoropropyl)-2-hydroxy-5,6-dimethoxybenzamide?
N-[[(2S)-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-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(3-fluoropropyl)-2-hydroxy-5,6-dimethoxybenzamide is sourced from PubChem (CID 14894966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).