[2-(2,5-diethylphenyl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate

C19H19Cl2NO3 — CID 7864701

IUPAC[2-(2,5-diethylphenyl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
SMILESCCc1ccc(CC)c(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)c1
InChIInChI=1S/C19H19Cl2NO3/c1-3-11-5-6-12(4-2)14(7-11)17(23)10-25-19(24)15-8-13(20)9-16(21)18(15)22/h5-9H,3-4,10,22H2,1-2H3
InChIKeyYZPOEGXGSZOXCX-UHFFFAOYSA-N
MW380.27 g/mol
LogP4.74
Rot. Bonds6

About [2-(2,5-diethylphenyl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate

[2-(2,5-diethylphenyl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate (PubChem CID 7864701) has the molecular formula C19H19Cl2NO3 and a molecular weight of 380.27 g/mol. Its IUPAC name is [2-(2,5-diethylphenyl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate.

Molecular Properties

Compound Name[2-(2,5-diethylphenyl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
PubChem CID7864701
Molecular FormulaC19H19Cl2NO3
Molecular Weight380.27 g/mol
Exact Mass379.07
IUPAC Name[2-(2,5-diethylphenyl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
SMILESCCc1ccc(CC)c(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)c1
InChIInChI=1S/C19H19Cl2NO3/c1-3-11-5-6-12(4-2)14(7-11)17(23)10-25-19(24)15-8-13(20)9-16(21)18(15)22/h5-9H,3-4,10,22H2,1-2H3
InChIKeyYZPOEGXGSZOXCX-UHFFFAOYSA-N
XLogP4.74
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(2,5-diethylphenyl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 7864776
ethyl 2-amino-3,5-dichlorobenzoate
CID 15087809
[2-(4-acetamidophenyl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 7754563
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2620423
[2-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 3570784
[2-(butylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2620389
[2-(2,5-diethylphenyl)-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 8013104
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-amino-3,5-dichlorobenzoate
CID 16539444
[2-(2,5-diethylphenyl)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8606797
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-amino-3,5-dichlorobenzoate
CID 7864673
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2620401
propyl 2,5-diethylbenzoate
CID 22448167

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-diethylphenyl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate?
The IUPAC name of [2-(2,5-diethylphenyl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate (CID 7864701) is [2-(2,5-diethylphenyl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate.
What is the SMILES notation for [2-(2,5-diethylphenyl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate?
The canonical SMILES for [2-(2,5-diethylphenyl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate is CCc1ccc(CC)c(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)c1.
What is the InChIKey of [2-(2,5-diethylphenyl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate?
The InChIKey is YZPOEGXGSZOXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO3/c1-3-11-5-6-12(4-2)14(7-11)17(23)10-25-19(24)15-8-13(20)9-16(21)18(15)22/h5-9H,3-4,10,22H2,1-2H3.
What are the key properties of [2-(2,5-diethylphenyl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate?
[2-(2,5-diethylphenyl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate has a molecular weight of 380.27 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-diethylphenyl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate is sourced from PubChem (CID 7864701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).