4-(2,5-dichloroanilino)-2-morpholin-4-yl-4-oxobutanoic acid

C14H16Cl2N2O4 — CID 3377027

IUPAC4-(2,5-dichloroanilino)-2-morpholin-4-yl-4-oxobutanoic acid
SMILESO=C(CC(C(=O)O)N1CCOCC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H16Cl2N2O4/c15-9-1-2-10(16)11(7-9)17-13(19)8-12(14(20)21)18-3-5-22-6-4-18/h1-2,7,12H,3-6,8H2,(H,17,19)(H,20,21)
InChIKeyVSBFLSMLPGGPQJ-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.11
Rot. Bonds5

About 4-(2,5-dichloroanilino)-2-morpholin-4-yl-4-oxobutanoic acid

4-(2,5-dichloroanilino)-2-morpholin-4-yl-4-oxobutanoic acid (PubChem CID 3377027) has the molecular formula C14H16Cl2N2O4 and a molecular weight of 347.20 g/mol. Its IUPAC name is 4-(2,5-dichloroanilino)-2-morpholin-4-yl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(2,5-dichloroanilino)-2-morpholin-4-yl-4-oxobutanoic acid
PubChem CID3377027
Molecular FormulaC14H16Cl2N2O4
Molecular Weight347.20 g/mol
Exact Mass346.05
IUPAC Name4-(2,5-dichloroanilino)-2-morpholin-4-yl-4-oxobutanoic acid
SMILESO=C(CC(C(=O)O)N1CCOCC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H16Cl2N2O4/c15-9-1-2-10(16)11(7-9)17-13(19)8-12(14(20)21)18-3-5-22-6-4-18/h1-2,7,12H,3-6,8H2,(H,17,19)(H,20,21)
InChIKeyVSBFLSMLPGGPQJ-UHFFFAOYSA-N
XLogP2.11
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-(2,5-dichloroanilino)-4-oxo-2-piperidin-1-ylbutanoic acid
CID 7591839
(2R)-4-(2,5-dichloroanilino)-4-oxo-2-piperidin-1-ylbutanoic acid
CID 7591841
4-(2,5-dichloroanilino)-2-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid
CID 4860933
N-(2,4-dichlorophenyl)-3-morpholin-4-ylbutanamide
CID 3065025
(2S)-4-(5-chloro-2-methylanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
CID 7422185
5-(2,5-dichloroanilino)-3-methyl-5-oxopentanoic acid
CID 62964001
(2R)-4-(2,5-dichloroanilino)-2-morpholin-4-ium-4-yl-4-oxobutanoate
CID 7166406
4-(4-methoxyanilino)-2-morpholin-4-yl-4-oxobutanoic acid
CID 2955982
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-morpholin-4-yl-4-oxobutanamide
CID 9440403
4-(5-chloro-2-methoxyanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
CID 16803555
N-(2,5-dichlorophenyl)-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide
CID 6457048
4-(2-chloro-5-nitroanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
CID 18858489

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichloroanilino)-2-morpholin-4-yl-4-oxobutanoic acid?
The IUPAC name of 4-(2,5-dichloroanilino)-2-morpholin-4-yl-4-oxobutanoic acid (CID 3377027) is 4-(2,5-dichloroanilino)-2-morpholin-4-yl-4-oxobutanoic acid.
What is the SMILES notation for 4-(2,5-dichloroanilino)-2-morpholin-4-yl-4-oxobutanoic acid?
The canonical SMILES for 4-(2,5-dichloroanilino)-2-morpholin-4-yl-4-oxobutanoic acid is O=C(CC(C(=O)O)N1CCOCC1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 4-(2,5-dichloroanilino)-2-morpholin-4-yl-4-oxobutanoic acid?
The InChIKey is VSBFLSMLPGGPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O4/c15-9-1-2-10(16)11(7-9)17-13(19)8-12(14(20)21)18-3-5-22-6-4-18/h1-2,7,12H,3-6,8H2,(H,17,19)(H,20,21).
What are the key properties of 4-(2,5-dichloroanilino)-2-morpholin-4-yl-4-oxobutanoic acid?
4-(2,5-dichloroanilino)-2-morpholin-4-yl-4-oxobutanoic acid has a molecular weight of 347.20 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichloroanilino)-2-morpholin-4-yl-4-oxobutanoic acid is sourced from PubChem (CID 3377027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).