4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]morpholine-3-carboxylic acid

C15H17Cl2NO4 — CID 119216451

IUPAC4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]morpholine-3-carboxylic acid
SMILESCC(Cc1ccc(Cl)cc1Cl)C(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C15H17Cl2NO4/c1-9(6-10-2-3-11(16)7-12(10)17)14(19)18-4-5-22-8-13(18)15(20)21/h2-3,7,9,13H,4-6,8H2,1H3,(H,20,21)
InChIKeyQELKCQBNBPVURE-UHFFFAOYSA-N
MW346.21 g/mol
LogP2.48
Rot. Bonds4

About 4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]morpholine-3-carboxylic acid

4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]morpholine-3-carboxylic acid (PubChem CID 119216451) has the molecular formula C15H17Cl2NO4 and a molecular weight of 346.21 g/mol. Its IUPAC name is 4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]morpholine-3-carboxylic acid
PubChem CID119216451
Molecular FormulaC15H17Cl2NO4
Molecular Weight346.21 g/mol
Exact Mass345.05
IUPAC Name4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]morpholine-3-carboxylic acid
SMILESCC(Cc1ccc(Cl)cc1Cl)C(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C15H17Cl2NO4/c1-9(6-10-2-3-11(16)7-12(10)17)14(19)18-4-5-22-8-13(18)15(20)21/h2-3,7,9,13H,4-6,8H2,1H3,(H,20,21)
InChIKeyQELKCQBNBPVURE-UHFFFAOYSA-N
XLogP2.48
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-4-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]morpholine-3-carboxylic acid
CID 125150196
3-(2,4-dichlorophenyl)-2-methyl-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119473217
4-[(4-chloro-2-methylphenyl)methyl]morpholine-3-carboxylic acid
CID 114076020
4-[4-(2-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid
CID 119216750
(3R)-4-[2-(5-chloro-2-methoxyphenyl)acetyl]morpholine-3-carboxylic acid
CID 124513245
4-[2-(3-chlorophenyl)-2-methylsulfanylacetyl]morpholine-3-carboxylic acid
CID 166277065
3-(2,4-dichlorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 119563571
(3R)-4-[(2R)-2-methyl-4-phenoxybutanoyl]morpholine-3-carboxylic acid
CID 125133585
(3S)-4-[(2S)-4-(3-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid
CID 125153431
N-[(2,4-dichlorophenyl)methyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide
CID 86795720
(3R)-4-[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 125119411
(3S)-4-[2-(3,4-difluorophenyl)acetyl]morpholine-3-carboxylic acid
CID 124517346

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]morpholine-3-carboxylic acid (CID 119216451) is 4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]morpholine-3-carboxylic acid is CC(Cc1ccc(Cl)cc1Cl)C(=O)N1CCOCC1C(=O)O.
What is the InChIKey of 4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]morpholine-3-carboxylic acid?
The InChIKey is QELKCQBNBPVURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO4/c1-9(6-10-2-3-11(16)7-12(10)17)14(19)18-4-5-22-8-13(18)15(20)21/h2-3,7,9,13H,4-6,8H2,1H3,(H,20,21).
What are the key properties of 4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]morpholine-3-carboxylic acid?
4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]morpholine-3-carboxylic acid has a molecular weight of 346.21 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 119216451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).