4-chloro-2-ethoxy-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylbenzamide

C17H25ClN2O3 — CID 128987256

IUPAC4-chloro-2-ethoxy-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylbenzamide
SMILESCCOc1cc(Cl)ccc1C(=O)N(C)C[C@@H]1C[C@H](OC)CN1C
InChIInChI=1S/C17H25ClN2O3/c1-5-23-16-8-12(18)6-7-15(16)17(21)20(3)10-13-9-14(22-4)11-19(13)2/h6-8,13-14H,5,9-11H2,1-4H3/t13-,14-/m0/s1
InChIKeySQEWQUAIOLHHQE-KBPBESRZSA-N
MW340.85 g/mol
LogP2.53
Rot. Bonds6

About 4-chloro-2-ethoxy-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylbenzamide

4-chloro-2-ethoxy-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylbenzamide (PubChem CID 128987256) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 4-chloro-2-ethoxy-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-2-ethoxy-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylbenzamide
PubChem CID128987256
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name4-chloro-2-ethoxy-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylbenzamide
SMILESCCOc1cc(Cl)ccc1C(=O)N(C)C[C@@H]1C[C@H](OC)CN1C
InChIInChI=1S/C17H25ClN2O3/c1-5-23-16-8-12(18)6-7-15(16)17(21)20(3)10-13-9-14(22-4)11-19(13)2/h6-8,13-14H,5,9-11H2,1-4H3/t13-,14-/m0/s1
InChIKeySQEWQUAIOLHHQE-KBPBESRZSA-N
XLogP2.53
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N,3-dimethylpyridine-2-carboxamide
CID 128981937
4-chloro-2-ethoxy-N-(3-hydroxybutyl)-N-methylbenzamide
CID 110007455
3-ethyl-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylpyridine-2-carboxamide
CID 128982012
2-(5-fluoro-2-methoxyphenyl)-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylacetamide
CID 128981964
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 128981958
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylquinoline-2-carboxamide
CID 128981996
2-(3-aminopropoxy)-4-chloro-N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzamide
CID 119061351
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 128981939
4-chloro-2-ethoxybenzamide
CID 126998915
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-4-(2-methoxyphenyl)-N,3-dimethylbut-2-enamide
CID 154796308
2-ethyl-5-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylsulfamoyl]benzoic acid
CID 167992227
4-chloro-2-ethoxy-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide
CID 110007287

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethoxy-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylbenzamide?
The IUPAC name of 4-chloro-2-ethoxy-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylbenzamide (CID 128987256) is 4-chloro-2-ethoxy-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-2-ethoxy-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-chloro-2-ethoxy-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylbenzamide is CCOc1cc(Cl)ccc1C(=O)N(C)C[C@@H]1C[C@H](OC)CN1C.
What is the InChIKey of 4-chloro-2-ethoxy-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylbenzamide?
The InChIKey is SQEWQUAIOLHHQE-KBPBESRZSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-5-23-16-8-12(18)6-7-15(16)17(21)20(3)10-13-9-14(22-4)11-19(13)2/h6-8,13-14H,5,9-11H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of 4-chloro-2-ethoxy-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylbenzamide?
4-chloro-2-ethoxy-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylbenzamide has a molecular weight of 340.85 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethoxy-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 128987256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).