1-[2-(4-chloro-2-methylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid

C15H13ClN2O5 — CID 82108119

IUPAC1-[2-(4-chloro-2-methylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid
SMILESCc1cc(Cl)ccc1NC(=O)COn1cccc(C(=O)O)c1=O
InChIInChI=1S/C15H13ClN2O5/c1-9-7-10(16)4-5-12(9)17-13(19)8-23-18-6-2-3-11(14(18)20)15(21)22/h2-7H,8H2,1H3,(H,17,19)(H,21,22)
InChIKeyPJAPUCFDVSEOIS-UHFFFAOYSA-N
MW336.73 g/mol
LogP1.58
Rot. Bonds5

About 1-[2-(4-chloro-2-methylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid

1-[2-(4-chloro-2-methylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid (PubChem CID 82108119) has the molecular formula C15H13ClN2O5 and a molecular weight of 336.73 g/mol. Its IUPAC name is 1-[2-(4-chloro-2-methylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-chloro-2-methylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid
PubChem CID82108119
Molecular FormulaC15H13ClN2O5
Molecular Weight336.73 g/mol
Exact Mass336.05
IUPAC Name1-[2-(4-chloro-2-methylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid
SMILESCc1cc(Cl)ccc1NC(=O)COn1cccc(C(=O)O)c1=O
InChIInChI=1S/C15H13ClN2O5/c1-9-7-10(16)4-5-12(9)17-13(19)8-23-18-6-2-3-11(14(18)20)15(21)22/h2-7H,8H2,1H3,(H,17,19)(H,21,22)
InChIKeyPJAPUCFDVSEOIS-UHFFFAOYSA-N
XLogP1.58
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.73
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 82107996
N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)acetamide
CID 2707661
N-(4-chloro-2-methylphenyl)-2-(3,5-dichlorophenoxy)acetamide
CID 7467092
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891384
N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 7784194
4-(4-chloro-2-methylanilino)-4-oxobutanoic acid
CID 731480
N-(4-chloro-2-methylphenyl)-2-[2-(1-imidazol-1-ylethenyl)phenoxy]acetamide
CID 24633242
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191503
2-(4-benzoylphenoxy)-N-(4-chloro-2-methylphenyl)acetamide
CID 7717727
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7859795
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11926927
N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 108996571

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-2-methylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-chloro-2-methylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid (CID 82108119) is 1-[2-(4-chloro-2-methylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-chloro-2-methylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-chloro-2-methylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid is Cc1cc(Cl)ccc1NC(=O)COn1cccc(C(=O)O)c1=O.
What is the InChIKey of 1-[2-(4-chloro-2-methylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid?
The InChIKey is PJAPUCFDVSEOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O5/c1-9-7-10(16)4-5-12(9)17-13(19)8-23-18-6-2-3-11(14(18)20)15(21)22/h2-7H,8H2,1H3,(H,17,19)(H,21,22).
What are the key properties of 1-[2-(4-chloro-2-methylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid?
1-[2-(4-chloro-2-methylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid has a molecular weight of 336.73 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-2-methylanilino)-2-oxoethoxy]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82108119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).