4-[2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]butanoic acid

C20H19Cl2NO4 — CID 144688275

IUPAC4-[2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]butanoic acid
SMILESO=C(O)CCCN1C(=O)COC(c2ccc(Cl)cc2)C1c1ccc(Cl)cc1
InChIInChI=1S/C20H19Cl2NO4/c21-15-7-3-13(4-8-15)19-20(14-5-9-16(22)10-6-14)27-12-17(24)23(19)11-1-2-18(25)26/h3-10,19-20H,1-2,11-12H2,(H,25,26)
InChIKeyNGRDFOUNHJGHQW-UHFFFAOYSA-N
MW408.28 g/mol
LogP4.50
Rot. Bonds6

About 4-[2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]butanoic acid

4-[2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]butanoic acid (PubChem CID 144688275) has the molecular formula C20H19Cl2NO4 and a molecular weight of 408.28 g/mol. Its IUPAC name is 4-[2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]butanoic acid.

Molecular Properties

Compound Name4-[2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]butanoic acid
PubChem CID144688275
Molecular FormulaC20H19Cl2NO4
Molecular Weight408.28 g/mol
Exact Mass407.07
IUPAC Name4-[2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]butanoic acid
SMILESO=C(O)CCCN1C(=O)COC(c2ccc(Cl)cc2)C1c1ccc(Cl)cc1
InChIInChI=1S/C20H19Cl2NO4/c21-15-7-3-13(4-8-15)19-20(14-5-9-16(22)10-6-14)27-12-17(24)23(19)11-1-2-18(25)26/h3-10,19-20H,1-2,11-12H2,(H,25,26)
InChIKeyNGRDFOUNHJGHQW-UHFFFAOYSA-N
XLogP4.50
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.28
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]acetic acid;cyclopropane;ethane;4-methylbenzonitrile
CID 144688324
ethane;ethyl 2-[3-(4-chlorophenyl)-2-(4-methylphenyl)-5-oxomorpholin-4-yl]acetate;propane
CID 144688230
(2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-phenylacetic acid
CID 90357436
(2R)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-3-phenylpropanoic acid
CID 90357267
(5S,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[[(1S,2S)-2-methylcyclopropyl]methyl]morpholin-3-one
CID 90358394
(2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-(4-chlorophenyl)acetamide
CID 90357019
N-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N-(2-hydroxyethyl)pentanamide
CID 90357477
(5R,6S)-5,6-bis(4-chlorophenyl)-4-[(2S)-1-hydroxypentan-2-yl]morpholin-3-one
CID 118622899
N-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N-(2-morpholin-4-ylethyl)pentanamide
CID 90357512
(2S)-2-[(2R,3S)-2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]-N,N-dimethylpentanamide
CID 90357899
ethyl 4-[[2-[2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]acetyl]amino]butanoate;4-methylbenzonitrile;propane
CID 144688338
4-[(2R)-2-(4-chlorophenyl)-3-[(4-chlorophenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]butanoic acid
CID 28629042

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]butanoic acid?
The IUPAC name of 4-[2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]butanoic acid (CID 144688275) is 4-[2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]butanoic acid.
What is the SMILES notation for 4-[2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]butanoic acid?
The canonical SMILES for 4-[2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]butanoic acid is O=C(O)CCCN1C(=O)COC(c2ccc(Cl)cc2)C1c1ccc(Cl)cc1.
What is the InChIKey of 4-[2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]butanoic acid?
The InChIKey is NGRDFOUNHJGHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2NO4/c21-15-7-3-13(4-8-15)19-20(14-5-9-16(22)10-6-14)27-12-17(24)23(19)11-1-2-18(25)26/h3-10,19-20H,1-2,11-12H2,(H,25,26).
What are the key properties of 4-[2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]butanoic acid?
4-[2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]butanoic acid has a molecular weight of 408.28 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-bis(4-chlorophenyl)-5-oxomorpholin-4-yl]butanoic acid is sourced from PubChem (CID 144688275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).