(2,3-dichlorophenyl)-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone

C17H24Cl2N2O3 — CID 70719148

IUPAC(2,3-dichlorophenyl)-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCCN(CCO)C[C@@H]1CN(C(=O)c2cccc(Cl)c2Cl)C[C@@H]1CO
InChIInChI=1S/C17H24Cl2N2O3/c1-2-20(6-7-22)8-12-9-21(10-13(12)11-23)17(24)14-4-3-5-15(18)16(14)19/h3-5,12-13,22-23H,2,6-11H2,1H3/t12-,13-/m1/s1
InChIKeyUYUQLFUCFUTYDH-CHWSQXEVSA-N
MW375.30 g/mol
LogP1.99
Rot. Bonds7

About (2,3-dichlorophenyl)-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone

(2,3-dichlorophenyl)-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 70719148) has the molecular formula C17H24Cl2N2O3 and a molecular weight of 375.30 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID70719148
Molecular FormulaC17H24Cl2N2O3
Molecular Weight375.30 g/mol
Exact Mass374.12
IUPAC Name(2,3-dichlorophenyl)-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCCN(CCO)C[C@@H]1CN(C(=O)c2cccc(Cl)c2Cl)C[C@@H]1CO
InChIInChI=1S/C17H24Cl2N2O3/c1-2-20(6-7-22)8-12-9-21(10-13(12)11-23)17(24)14-4-3-5-15(18)16(14)19/h3-5,12-13,22-23H,2,6-11H2,1H3/t12-,13-/m1/s1
InChIKeyUYUQLFUCFUTYDH-CHWSQXEVSA-N
XLogP1.99
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 70763320
(2,5-dimethylfuran-3-yl)-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 70781211
1-(2,3-dichlorophenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-one
CID 114079722
2-(benzotriazol-2-yl)-1-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 70734253
2-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-phenylacetamide
CID 70721320
(3,5-difluoro-2-pyridinyl)-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 70712382
(2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65449557
(3-chloro-2-fluorophenyl)-[(3R,4R)-3-(hydroxymethyl)-4-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 70759657
6-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 70754941
(2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 47070210
methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylate
CID 113226241
[(3R,4R)-3-[[2-hydroxyethyl(methyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 72884687

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 70719148) is (2,3-dichlorophenyl)-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone is CCN(CCO)C[C@@H]1CN(C(=O)c2cccc(Cl)c2Cl)C[C@@H]1CO.
What is the InChIKey of (2,3-dichlorophenyl)-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is UYUQLFUCFUTYDH-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H24Cl2N2O3/c1-2-20(6-7-22)8-12-9-21(10-13(12)11-23)17(24)14-4-3-5-15(18)16(14)19/h3-5,12-13,22-23H,2,6-11H2,1H3/t12-,13-/m1/s1.
What are the key properties of (2,3-dichlorophenyl)-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(2,3-dichlorophenyl)-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 375.30 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[(3R,4R)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 70719148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).