2-[4,5-dichloro-2-(oxaloamino)anilino]-2-oxoacetic acid

C10H6Cl2N2O6 — CID 15300494

IUPAC2-[4,5-dichloro-2-(oxaloamino)anilino]-2-oxoacetic acid
SMILESO=C(O)C(=O)Nc1cc(Cl)c(Cl)cc1NC(=O)C(=O)O
InChIInChI=1S/C10H6Cl2N2O6/c11-3-1-5(13-7(15)9(17)18)6(2-4(3)12)14-8(16)10(19)20/h1-2H,(H,13,15)(H,14,16)(H,17,18)(H,19,20)
InChIKeyHDLMIGWZOKNXDQ-UHFFFAOYSA-N
MW321.07 g/mol
LogP1.04
Rot. Bonds2

About 2-[4,5-dichloro-2-(oxaloamino)anilino]-2-oxoacetic acid

2-[4,5-dichloro-2-(oxaloamino)anilino]-2-oxoacetic acid (PubChem CID 15300494) has the molecular formula C10H6Cl2N2O6 and a molecular weight of 321.07 g/mol. Its IUPAC name is 2-[4,5-dichloro-2-(oxaloamino)anilino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[4,5-dichloro-2-(oxaloamino)anilino]-2-oxoacetic acid
PubChem CID15300494
Molecular FormulaC10H6Cl2N2O6
Molecular Weight321.07 g/mol
Exact Mass319.96
IUPAC Name2-[4,5-dichloro-2-(oxaloamino)anilino]-2-oxoacetic acid
SMILESO=C(O)C(=O)Nc1cc(Cl)c(Cl)cc1NC(=O)C(=O)O
InChIInChI=1S/C10H6Cl2N2O6/c11-3-1-5(13-7(15)9(17)18)6(2-4(3)12)14-8(16)10(19)20/h1-2H,(H,13,15)(H,14,16)(H,17,18)(H,19,20)
InChIKeyHDLMIGWZOKNXDQ-UHFFFAOYSA-N
XLogP1.04
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.07
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dichloro-4-methylanilino)-2-oxoacetic acid
CID 104727934
2-(5-chloro-4-methoxy-2-methylanilino)-2-oxoacetic acid
CID 82497514
2-(5-chloro-2-fluoroanilino)-2-oxoacetic acid
CID 43444985
N-[4,5-dichloro-2-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]-2-hydroxy-2-methylpropanamide
CID 22287352
2-(2,5-dihydroxyanilino)-2-oxoacetic acid
CID 154478317
N-(2,4,5-trichlorophenyl)carbamoyl fluoride
CID 88834556
5-hydroxy-2-(oxaloamino)benzoic acid
CID 20651558
2-[(5-chloro-6-methyl-3-pyridinyl)amino]-2-oxoacetic acid
CID 164750475
(Z)-4-(2,4-dichloroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 63266947
2,3-diphenyl-N-(2,4,5-trichlorophenyl)prop-2-enamide
CID 4287283
2-[(2,4,5-trichloroanilino)methyl]prop-2-enoic acid
CID 103232496
2-cyano-N-(2,5-dichloro-4-hydroxyphenyl)but-2-enamide
CID 135322214

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dichloro-2-(oxaloamino)anilino]-2-oxoacetic acid?
The IUPAC name of 2-[4,5-dichloro-2-(oxaloamino)anilino]-2-oxoacetic acid (CID 15300494) is 2-[4,5-dichloro-2-(oxaloamino)anilino]-2-oxoacetic acid.
What is the SMILES notation for 2-[4,5-dichloro-2-(oxaloamino)anilino]-2-oxoacetic acid?
The canonical SMILES for 2-[4,5-dichloro-2-(oxaloamino)anilino]-2-oxoacetic acid is O=C(O)C(=O)Nc1cc(Cl)c(Cl)cc1NC(=O)C(=O)O.
What is the InChIKey of 2-[4,5-dichloro-2-(oxaloamino)anilino]-2-oxoacetic acid?
The InChIKey is HDLMIGWZOKNXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O6/c11-3-1-5(13-7(15)9(17)18)6(2-4(3)12)14-8(16)10(19)20/h1-2H,(H,13,15)(H,14,16)(H,17,18)(H,19,20).
What are the key properties of 2-[4,5-dichloro-2-(oxaloamino)anilino]-2-oxoacetic acid?
2-[4,5-dichloro-2-(oxaloamino)anilino]-2-oxoacetic acid has a molecular weight of 321.07 g/mol, XLogP of 1.04, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dichloro-2-(oxaloamino)anilino]-2-oxoacetic acid is sourced from PubChem (CID 15300494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).