[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate

C18H12Cl2N2O4 — CID 55837261

IUPAC[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate
SMILESO=C(COC(=O)c1ccc(-c2cnco2)cc1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C18H12Cl2N2O4/c19-13-2-1-3-14(17(13)20)22-16(23)9-25-18(24)12-6-4-11(5-7-12)15-8-21-10-26-15/h1-8,10H,9H2,(H,22,23)
InChIKeyYXDJBBURUKWBSS-UHFFFAOYSA-N
MW391.21 g/mol
LogP4.44
Rot. Bonds5

About [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate

[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate (PubChem CID 55837261) has the molecular formula C18H12Cl2N2O4 and a molecular weight of 391.21 g/mol. Its IUPAC name is [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate.

Molecular Properties

Compound Name[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate
PubChem CID55837261
Molecular FormulaC18H12Cl2N2O4
Molecular Weight391.21 g/mol
Exact Mass390.02
IUPAC Name[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate
SMILESO=C(COC(=O)c1ccc(-c2cnco2)cc1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C18H12Cl2N2O4/c19-13-2-1-3-14(17(13)20)22-16(23)9-25-18(24)12-6-4-11(5-7-12)15-8-21-10-26-15/h1-8,10H,9H2,(H,22,23)
InChIKeyYXDJBBURUKWBSS-UHFFFAOYSA-N
XLogP4.44
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.21
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-chloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate
CID 55835848
[2-(4-iodo-2-methylanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate
CID 55996026
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate
CID 8015070
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(1,3-oxazol-5-yl)benzoate
CID 55836104
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 7939503
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211911
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2603661
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782625
[2-(2,3-dichloroanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7581681
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(oxolan-2-ylmethoxy)benzoate
CID 46793982
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-aminobenzoate
CID 7781202
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 725032

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate?
The IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate (CID 55837261) is [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate.
What is the SMILES notation for [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate?
The canonical SMILES for [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate is O=C(COC(=O)c1ccc(-c2cnco2)cc1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate?
The InChIKey is YXDJBBURUKWBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O4/c19-13-2-1-3-14(17(13)20)22-16(23)9-25-18(24)12-6-4-11(5-7-12)15-8-21-10-26-15/h1-8,10H,9H2,(H,22,23).
What are the key properties of [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate?
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate has a molecular weight of 391.21 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate is sourced from PubChem (CID 55837261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).