methyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholine-4-carbonyl]benzoate

C20H20ClNO4 — CID 26327707

IUPACmethyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholine-4-carbonyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N2CCO[C@H](Cc3ccccc3Cl)C2)cc1
InChIInChI=1S/C20H20ClNO4/c1-25-20(24)15-8-6-14(7-9-15)19(23)22-10-11-26-17(13-22)12-16-4-2-3-5-18(16)21/h2-9,17H,10-13H2,1H3/t17-/m1/s1
InChIKeyDTETYPCRWOYDIF-QGZVFWFLSA-N
MW373.84 g/mol
LogP3.21
Rot. Bonds4

About methyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholine-4-carbonyl]benzoate

methyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholine-4-carbonyl]benzoate (PubChem CID 26327707) has the molecular formula C20H20ClNO4 and a molecular weight of 373.84 g/mol. Its IUPAC name is methyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholine-4-carbonyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholine-4-carbonyl]benzoate
PubChem CID26327707
Molecular FormulaC20H20ClNO4
Molecular Weight373.84 g/mol
Exact Mass373.11
IUPAC Namemethyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholine-4-carbonyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N2CCO[C@H](Cc3ccccc3Cl)C2)cc1
InChIInChI=1S/C20H20ClNO4/c1-25-20(24)15-8-6-14(7-9-15)19(23)22-10-11-26-17(13-22)12-16-4-2-3-5-18(16)21/h2-9,17H,10-13H2,1H3/t17-/m1/s1
InChIKeyDTETYPCRWOYDIF-QGZVFWFLSA-N
XLogP3.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholine-4-carbonyl]benzoate with MolForge

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Related Compounds

[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]-(3-fluoro-2-methoxyphenyl)methanone
CID 95552061
[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]-cyclopentylmethanone
CID 95123744
[2-[(2-chlorophenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 102604292
methyl 4-[[(2S)-2-ethylmorpholine-4-carbonyl]amino]benzoate
CID 95160013
methyl 4-[[(2R)-2-ethylmorpholine-4-carbonyl]amino]benzoate
CID 94878692
[(2S)-2-(fluoromethyl)morpholin-4-yl]-phenylmethanone
CID 129348847
methyl 2-[4-(4-hydroxybenzoyl)morpholin-2-yl]acetate
CID 115534950
methyl 2-[4-(2,3-dichlorobenzoyl)morpholin-2-yl]acetate
CID 79812879
ethyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholin-4-yl]piperidine-1-carboxylate
CID 28769517
1-[2-[(2-chlorophenyl)methyl]morpholin-4-yl]-2-[methyl(piperidin-4-yl)amino]ethanone
CID 56874173
methyl 2-[4-(4-bromobenzoyl)morpholin-2-yl]acetate
CID 79806173
methyl 2-[4-(3-bromo-4-chlorobenzoyl)morpholin-2-yl]acetate
CID 103842120

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholine-4-carbonyl]benzoate?
The IUPAC name of methyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholine-4-carbonyl]benzoate (CID 26327707) is methyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholine-4-carbonyl]benzoate.
What is the SMILES notation for methyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholine-4-carbonyl]benzoate?
The canonical SMILES for methyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholine-4-carbonyl]benzoate is COC(=O)c1ccc(C(=O)N2CCO[C@H](Cc3ccccc3Cl)C2)cc1.
What is the InChIKey of methyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholine-4-carbonyl]benzoate?
The InChIKey is DTETYPCRWOYDIF-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20ClNO4/c1-25-20(24)15-8-6-14(7-9-15)19(23)22-10-11-26-17(13-22)12-16-4-2-3-5-18(16)21/h2-9,17H,10-13H2,1H3/t17-/m1/s1.
What are the key properties of methyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholine-4-carbonyl]benzoate?
methyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholine-4-carbonyl]benzoate has a molecular weight of 373.84 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2R)-2-[(2-chlorophenyl)methyl]morpholine-4-carbonyl]benzoate is sourced from PubChem (CID 26327707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).