[2-(2,6-dichloroanilino)phenyl] 2-oxopropanoate

C15H11Cl2NO3 — CID 70597888

IUPAC[2-(2,6-dichloroanilino)phenyl] 2-oxopropanoate
SMILESCC(=O)C(=O)Oc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H11Cl2NO3/c1-9(19)15(20)21-13-8-3-2-7-12(13)18-14-10(16)5-4-6-11(14)17/h2-8,18H,1H3
InChIKeyFZXBVMLUJSGBSJ-UHFFFAOYSA-N
MW324.16 g/mol
LogP4.23
Rot. Bonds4

About [2-(2,6-dichloroanilino)phenyl] 2-oxopropanoate

[2-(2,6-dichloroanilino)phenyl] 2-oxopropanoate (PubChem CID 70597888) has the molecular formula C15H11Cl2NO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is [2-(2,6-dichloroanilino)phenyl] 2-oxopropanoate.

Molecular Properties

Compound Name[2-(2,6-dichloroanilino)phenyl] 2-oxopropanoate
PubChem CID70597888
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.16 g/mol
Exact Mass323.01
IUPAC Name[2-(2,6-dichloroanilino)phenyl] 2-oxopropanoate
SMILESCC(=O)C(=O)Oc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H11Cl2NO3/c1-9(19)15(20)21-13-8-3-2-7-12(13)18-14-10(16)5-4-6-11(14)17/h2-8,18H,1H3
InChIKeyFZXBVMLUJSGBSJ-UHFFFAOYSA-N
XLogP4.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium;[2-(2,6-dichloroanilino)phenyl] acetate;hydride
CID 173055084
[2-(2,6-dichloroanilino)phenyl] 4-(dipropylamino)-2-[2-(dipropylamino)ethyl]butanoate
CID 68797097
N-[4-(2,6-dichloroanilino)phenyl]acetamide
CID 112989665
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
(2-fluorophenyl) 2-oxopropanoate
CID 54044054
[2-[(2,3-dichlorophenyl)carbamoyl]phenyl] acetate
CID 3368365
strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
CID 173032882
2-[2-(2,6-dichloroanilino)phenyl]-N-phenylbutanamide
CID 57216505
(2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 46783545
(3-hydroxyphenyl) 2-oxopropanoate
CID 22361380
N-[2-[2-(aminomethyl)-3-chlorophenoxy]phenyl]acetamide
CID 62502106
3-chloro-2-(2-chloroanilino)benzoic acid
CID 615153

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloroanilino)phenyl] 2-oxopropanoate?
The IUPAC name of [2-(2,6-dichloroanilino)phenyl] 2-oxopropanoate (CID 70597888) is [2-(2,6-dichloroanilino)phenyl] 2-oxopropanoate.
What is the SMILES notation for [2-(2,6-dichloroanilino)phenyl] 2-oxopropanoate?
The canonical SMILES for [2-(2,6-dichloroanilino)phenyl] 2-oxopropanoate is CC(=O)C(=O)Oc1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of [2-(2,6-dichloroanilino)phenyl] 2-oxopropanoate?
The InChIKey is FZXBVMLUJSGBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3/c1-9(19)15(20)21-13-8-3-2-7-12(13)18-14-10(16)5-4-6-11(14)17/h2-8,18H,1H3.
What are the key properties of [2-(2,6-dichloroanilino)phenyl] 2-oxopropanoate?
[2-(2,6-dichloroanilino)phenyl] 2-oxopropanoate has a molecular weight of 324.16 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloroanilino)phenyl] 2-oxopropanoate is sourced from PubChem (CID 70597888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).