4-chloro-2-hydroxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide

C19H26ClN3O4 — CID 171386005

IUPAC4-chloro-2-hydroxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide
SMILESCN1[C@@H](CC(=O)N2CCOCC2)CC[C@H]1CNC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C19H26ClN3O4/c1-22-14(11-18(25)23-6-8-27-9-7-23)3-4-15(22)12-21-19(26)16-5-2-13(20)10-17(16)24/h2,5,10,14-15,24H,3-4,6-9,11-12H2,1H3,(H,21,26)/t14-,15+/m1/s1
InChIKeyAYYMCFPXUFMKTE-CABCVRRESA-N
MW395.89 g/mol
LogP1.49
Rot. Bonds5

About 4-chloro-2-hydroxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide

4-chloro-2-hydroxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide (PubChem CID 171386005) has the molecular formula C19H26ClN3O4 and a molecular weight of 395.89 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide
PubChem CID171386005
Molecular FormulaC19H26ClN3O4
Molecular Weight395.89 g/mol
Exact Mass395.16
IUPAC Name4-chloro-2-hydroxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide
SMILESCN1[C@@H](CC(=O)N2CCOCC2)CC[C@H]1CNC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C19H26ClN3O4/c1-22-14(11-18(25)23-6-8-27-9-7-23)3-4-15(22)12-21-19(26)16-5-2-13(20)10-17(16)24/h2,5,10,14-15,24H,3-4,6-9,11-12H2,1H3,(H,21,26)/t14-,15+/m1/s1
InChIKeyAYYMCFPXUFMKTE-CABCVRRESA-N
XLogP1.49
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]acetamide;formic acid
CID 171709665
2-ethoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide
CID 166620853
2-fluoro-3-methoxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide
CID 165427835
4-chloro-2-hydroxy-N-(oxan-4-ylmethyl)benzamide
CID 62328293
4,6-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 171910861
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-hydroxy-2-methylbenzamide
CID 166612366
(E)-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-3-phenylprop-2-enamide
CID 165426080
1-ethyl-3,5-dimethyl-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]pyrazole-4-carboxamide
CID 166616191
formic acid;N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-4-phenylbutanamide
CID 171712151
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]-3-hydroxy-4-methylbenzamide
CID 166621555
4-chloro-N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide
CID 54908530
2-hydroxy-4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 115581591

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide?
The IUPAC name of 4-chloro-2-hydroxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide (CID 171386005) is 4-chloro-2-hydroxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide is CN1[C@@H](CC(=O)N2CCOCC2)CC[C@H]1CNC(=O)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-2-hydroxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide?
The InChIKey is AYYMCFPXUFMKTE-CABCVRRESA-N. The full InChI is InChI=1S/C19H26ClN3O4/c1-22-14(11-18(25)23-6-8-27-9-7-23)3-4-15(22)12-21-19(26)16-5-2-13(20)10-17(16)24/h2,5,10,14-15,24H,3-4,6-9,11-12H2,1H3,(H,21,26)/t14-,15+/m1/s1.
What are the key properties of 4-chloro-2-hydroxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide?
4-chloro-2-hydroxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide has a molecular weight of 395.89 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-N-[[(2S,5R)-1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]methyl]benzamide is sourced from PubChem (CID 171386005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).