2-[4-[2-(4-chloroanilino)-2-oxoethyl]morpholin-2-yl]acetic acid

C14H17ClN2O4 — CID 66433081

IUPAC2-[4-[2-(4-chloroanilino)-2-oxoethyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(CC(=O)Nc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C14H17ClN2O4/c15-10-1-3-11(4-2-10)16-13(18)9-17-5-6-21-12(8-17)7-14(19)20/h1-4,12H,5-9H2,(H,16,18)(H,19,20)
InChIKeyXDZDSAICYOMLOA-UHFFFAOYSA-N
MW312.75 g/mol
LogP1.45
Rot. Bonds5

About 2-[4-[2-(4-chloroanilino)-2-oxoethyl]morpholin-2-yl]acetic acid

2-[4-[2-(4-chloroanilino)-2-oxoethyl]morpholin-2-yl]acetic acid (PubChem CID 66433081) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is 2-[4-[2-(4-chloroanilino)-2-oxoethyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(4-chloroanilino)-2-oxoethyl]morpholin-2-yl]acetic acid
PubChem CID66433081
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name2-[4-[2-(4-chloroanilino)-2-oxoethyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(CC(=O)Nc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C14H17ClN2O4/c15-10-1-3-11(4-2-10)16-13(18)9-17-5-6-21-12(8-17)7-14(19)20/h1-4,12H,5-9H2,(H,16,18)(H,19,20)
InChIKeyXDZDSAICYOMLOA-UHFFFAOYSA-N
XLogP1.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(3-iodoanilino)-2-oxoethyl]morpholin-2-yl]acetic acid
CID 66434673
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-(4-methylphenyl)acetamide
CID 60516267
2-[2-(aminomethyl)morpholin-4-yl]-N-phenylacetamide
CID 61336829
4-[[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]amino]benzamide
CID 79834650
2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide
CID 114395086
N-(4-carbamothioylphenyl)-2-(2-ethylmorpholin-4-yl)acetamide
CID 43562692
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-chloro-4-cyanophenyl)acetamide
CID 114398812
2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid
CID 66433866
N-(4-chlorophenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81493727
2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide
CID 114394862
4-[2-oxo-2-(4-phenylanilino)ethyl]morpholine-2-carboxamide
CID 49451499
N-(4-chlorophenyl)-2-(3-methyl-4-oxopiperidin-1-yl)acetamide
CID 114500174

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-chloroanilino)-2-oxoethyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-(4-chloroanilino)-2-oxoethyl]morpholin-2-yl]acetic acid (CID 66433081) is 2-[4-[2-(4-chloroanilino)-2-oxoethyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(4-chloroanilino)-2-oxoethyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(4-chloroanilino)-2-oxoethyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(CC(=O)Nc2ccc(Cl)cc2)CCO1.
What is the InChIKey of 2-[4-[2-(4-chloroanilino)-2-oxoethyl]morpholin-2-yl]acetic acid?
The InChIKey is XDZDSAICYOMLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c15-10-1-3-11(4-2-10)16-13(18)9-17-5-6-21-12(8-17)7-14(19)20/h1-4,12H,5-9H2,(H,16,18)(H,19,20).
What are the key properties of 2-[4-[2-(4-chloroanilino)-2-oxoethyl]morpholin-2-yl]acetic acid?
2-[4-[2-(4-chloroanilino)-2-oxoethyl]morpholin-2-yl]acetic acid has a molecular weight of 312.75 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-chloroanilino)-2-oxoethyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).