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

C16H22Cl2N2O4 — CID 11440307

IUPAC3,5-dichloro-N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide
SMILESCOc1c(Cl)cc(Cl)c(OC)c1C(=O)NCC1CCCN1CCO
InChIInChI=1S/C16H22Cl2N2O4/c1-23-14-11(17)8-12(18)15(24-2)13(14)16(22)19-9-10-4-3-5-20(10)6-7-21/h8,10,21H,3-7,9H2,1-2H3,(H,19,22)
InChIKeyDYJKJCRVMAAJST-UHFFFAOYSA-N
MW377.27 g/mol
LogP2.20
Rot. Bonds7

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

3,5-dichloro-N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide (PubChem CID 11440307) has the molecular formula C16H22Cl2N2O4 and a molecular weight of 377.27 g/mol. Its IUPAC name is 3,5-dichloro-N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide
PubChem CID11440307
Molecular FormulaC16H22Cl2N2O4
Molecular Weight377.27 g/mol
Exact Mass376.10
IUPAC Name3,5-dichloro-N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide
SMILESCOc1c(Cl)cc(Cl)c(OC)c1C(=O)NCC1CCCN1CCO
InChIInChI=1S/C16H22Cl2N2O4/c1-23-14-11(17)8-12(18)15(24-2)13(14)16(22)19-9-10-4-3-5-20(10)6-7-21/h8,10,21H,3-7,9H2,1-2H3,(H,19,22)
InChIKeyDYJKJCRVMAAJST-UHFFFAOYSA-N
XLogP2.20
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-ethyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide
CID 6093347
[4,6-dichloro-2-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]-3-methoxyphenyl] 2-ethylhexanoate
CID 18639889
3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 15167696
3,4-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydroxy-2-methoxybenzamide
CID 142641654
4-chloro-1-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]naphthalene-2-carboxamide
CID 18983069
2-amino-3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-5,6-dimethoxybenzamide
CID 14076876
3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5-iodo-6-methoxybenzamide
CID 10345188
3,5-dibromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-6-methoxybenzamide;hydrochloride
CID 88691958
5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dihydroxy-6-methoxybenzamide
CID 10022203
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-5,6-dimethoxy-3-methylbenzamide
CID 19738289
2,3-diethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-hydroxy-6-methoxybenzamide
CID 52942307
5-chloro-N-[[1-[2-(3,3-diphenylpyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-ethyl-2-hydroxy-6-methoxybenzamide
CID 164916966

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide?
The IUPAC name of 3,5-dichloro-N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide (CID 11440307) is 3,5-dichloro-N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide is COc1c(Cl)cc(Cl)c(OC)c1C(=O)NCC1CCCN1CCO.
What is the InChIKey of 3,5-dichloro-N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide?
The InChIKey is DYJKJCRVMAAJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O4/c1-23-14-11(17)8-12(18)15(24-2)13(14)16(22)19-9-10-4-3-5-20(10)6-7-21/h8,10,21H,3-7,9H2,1-2H3,(H,19,22).
What are the key properties of 3,5-dichloro-N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide?
3,5-dichloro-N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide has a molecular weight of 377.27 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[[1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 11440307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).