[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-aminobenzoate

C15H11Cl2NO3 — CID 15702453

IUPAC[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-aminobenzoate
SMILESNc1ccccc1C(=O)OCC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2NO3/c16-11-6-5-9(7-12(11)17)14(19)8-21-15(20)10-3-1-2-4-13(10)18/h1-7H,8,18H2
InChIKeyHMDLZUPVPOQOSG-UHFFFAOYSA-N
MW324.16 g/mol
LogP3.62
Rot. Bonds4

About [2-(3,4-dichlorophenyl)-2-oxoethyl] 2-aminobenzoate

[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-aminobenzoate (PubChem CID 15702453) has the molecular formula C15H11Cl2NO3 and a molecular weight of 324.16 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)-2-oxoethyl] 2-aminobenzoate.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-aminobenzoate
PubChem CID15702453
Molecular FormulaC15H11Cl2NO3
Molecular Weight324.16 g/mol
Exact Mass323.01
IUPAC Name[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-aminobenzoate
SMILESNc1ccccc1C(=O)OCC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl2NO3/c16-11-6-5-9(7-12(11)17)14(19)8-21-15(20)10-3-1-2-4-13(10)18/h1-7H,8,18H2
InChIKeyHMDLZUPVPOQOSG-UHFFFAOYSA-N
XLogP3.62
TPSA69.39 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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(2-amino-2-oxoethyl)sulfanylbenzoate
CID 9478342
[2-(3,4-dichlorophenyl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2336407
[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)benzoate
CID 1332724
[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(2-methylpropanoylamino)benzoate
CID 3976031
[2-(3-bromophenyl)-2-oxoethyl] 3,4-dichlorobenzoate
CID 7873534
bis[2-(4-amino-3,5-dichlorophenyl)-2-oxoethyl] 2-aminobenzene-1,4-dicarboxylate
CID 11692780
[2-(4-chlorophenyl)-2-oxoethyl] 2-chlorobenzoate
CID 587174
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7626940
bis[2-(4-bromophenyl)-2-oxoethyl] 4,5-dichlorobenzene-1,2-dicarboxylate
CID 3112620
[2-(3,4-dichlorophenyl)-2-oxoethyl] 4-nitrobenzoate
CID 3553741
bis[2-(2-bromophenyl)-2-oxoethyl] 2-aminobenzene-1,4-dicarboxylate
CID 11613938
[2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 23793601

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)-2-oxoethyl] 2-aminobenzoate?
The IUPAC name of [2-(3,4-dichlorophenyl)-2-oxoethyl] 2-aminobenzoate (CID 15702453) is [2-(3,4-dichlorophenyl)-2-oxoethyl] 2-aminobenzoate.
What is the SMILES notation for [2-(3,4-dichlorophenyl)-2-oxoethyl] 2-aminobenzoate?
The canonical SMILES for [2-(3,4-dichlorophenyl)-2-oxoethyl] 2-aminobenzoate is Nc1ccccc1C(=O)OCC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [2-(3,4-dichlorophenyl)-2-oxoethyl] 2-aminobenzoate?
The InChIKey is HMDLZUPVPOQOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO3/c16-11-6-5-9(7-12(11)17)14(19)8-21-15(20)10-3-1-2-4-13(10)18/h1-7H,8,18H2.
What are the key properties of [2-(3,4-dichlorophenyl)-2-oxoethyl] 2-aminobenzoate?
[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-aminobenzoate has a molecular weight of 324.16 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)-2-oxoethyl] 2-aminobenzoate is sourced from PubChem (CID 15702453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).