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

C16H22Cl2N2O3 — CID 10689922

IUPAC3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1c(OC)c(Cl)cc(Cl)c1OC
InChIInChI=1S/C16H22Cl2N2O3/c1-4-20-7-5-6-10(20)9-19-16(21)13-14(22-2)11(17)8-12(18)15(13)23-3/h8,10H,4-7,9H2,1-3H3,(H,19,21)/t10-/m0/s1
InChIKeyJGQKBQNMKHVABS-JTQLQIEISA-N
MW361.27 g/mol
LogP3.22
Rot. Bonds6

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

3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide (PubChem CID 10689922) has the molecular formula C16H22Cl2N2O3 and a molecular weight of 361.27 g/mol. Its IUPAC name is 3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide
PubChem CID10689922
Molecular FormulaC16H22Cl2N2O3
Molecular Weight361.27 g/mol
Exact Mass360.10
IUPAC Name3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide
SMILESCCN1CCC[C@H]1CNC(=O)c1c(OC)c(Cl)cc(Cl)c1OC
InChIInChI=1S/C16H22Cl2N2O3/c1-4-20-7-5-6-10(20)9-19-16(21)13-14(22-2)11(17)8-12(18)15(13)23-3/h8,10H,4-7,9H2,1-3H3,(H,19,21)/t10-/m0/s1
InChIKeyJGQKBQNMKHVABS-JTQLQIEISA-N
XLogP3.22
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Raclopride
CID 3033769
Eticlopride
CID 57267
S-(-)-Eticlopride hydrochloride
CID 11973707
Benzamide, 3,5-dichloro-2,6-dimethoxy-N-(1-ethyl-2-pyrrolidinylmethyl)-
CID 54941
Raclopride C 11
CID 10958914
S(+)-Raclopride L-tartrate
CID 11663304
3-chloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-5,6-dimethoxybenzamide
CID 14668289
Eticlopride hydrochloride
CID 6917728
N-(1-Ethyl-pyrrolidin-2-ylmethyl)-2,6-dimethoxy-benzamide
CID 15565706
Benzamide, 3-bromo-5-chloro-2,6-dimethoxy-N-(1-ethyl-2-pyrrolidinylmethyl)-
CID 54942
5-chloro-3-ethyl-2-hydroxy-6-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride
CID 164613651
5-chloro-3-ethyl-2-hydroxy-N-[[(2S,4R)-4-(4-hydroxybutoxy)pyrrolidin-2-yl]methyl]-6-methoxybenzamide
CID 164613796

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide?
The IUPAC name of 3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide (CID 10689922) is 3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide is CCN1CCC[C@H]1CNC(=O)c1c(OC)c(Cl)cc(Cl)c1OC.
What is the InChIKey of 3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide?
The InChIKey is JGQKBQNMKHVABS-JTQLQIEISA-N. The full InChI is InChI=1S/C16H22Cl2N2O3/c1-4-20-7-5-6-10(20)9-19-16(21)13-14(22-2)11(17)8-12(18)15(13)23-3/h8,10H,4-7,9H2,1-3H3,(H,19,21)/t10-/m0/s1.
What are the key properties of 3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide?
3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide has a molecular weight of 361.27 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 10689922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).