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

C19H29FN2O3 — CID 10043596

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(3-fluoropropyl)-2,3-dimethoxybenzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC
InChIInChI=1S/C19H29FN2O3/c1-4-22-10-6-8-15(22)13-21-19(23)16-11-14(7-5-9-20)12-17(24-2)18(16)25-3/h11-12,15H,4-10,13H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyCRDCKDWZBHLFAS-HNNXBMFYSA-N
MW352.45 g/mol
LogP2.82
Rot. Bonds9

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

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(3-fluoropropyl)-2,3-dimethoxybenzamide (PubChem CID 10043596) has the molecular formula C19H29FN2O3 and a molecular weight of 352.45 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(3-fluoropropyl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(3-fluoropropyl)-2,3-dimethoxybenzamide
PubChem CID10043596
Molecular FormulaC19H29FN2O3
Molecular Weight352.45 g/mol
Exact Mass352.22
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(3-fluoropropyl)-2,3-dimethoxybenzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC
InChIInChI=1S/C19H29FN2O3/c1-4-22-10-6-8-15(22)13-21-19(23)16-11-14(7-5-9-20)12-17(24-2)18(16)25-3/h11-12,15H,4-10,13H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyCRDCKDWZBHLFAS-HNNXBMFYSA-N
XLogP2.82
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(3-fluoropropyl)-2,3-dimethoxybenzamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(3-fluoropropyl)-2,3-dimethoxybenzamide (CID 10043596) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(3-fluoropropyl)-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(3-fluoropropyl)-2,3-dimethoxybenzamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(3-fluoropropyl)-2,3-dimethoxybenzamide is CCN1CCC[C@H]1CNC(=O)c1cc(CCCF)cc(OC)c1OC.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(3-fluoropropyl)-2,3-dimethoxybenzamide?
The InChIKey is CRDCKDWZBHLFAS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29FN2O3/c1-4-22-10-6-8-15(22)13-21-19(23)16-11-14(7-5-9-20)12-17(24-2)18(16)25-3/h11-12,15H,4-10,13H2,1-3H3,(H,21,23)/t15-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(3-fluoropropyl)-2,3-dimethoxybenzamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(3-fluoropropyl)-2,3-dimethoxybenzamide has a molecular weight of 352.45 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(3-fluoropropyl)-2,3-dimethoxybenzamide is sourced from PubChem (CID 10043596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).