ethyl 4-(6-amino-2,3-dichlorophenyl)-2-ethylbutanoate

C14H19Cl2NO2 — CID 123268046

IUPACethyl 4-(6-amino-2,3-dichlorophenyl)-2-ethylbutanoate
SMILESCCOC(=O)C(CC)CCc1c(N)ccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2NO2/c1-3-9(14(18)19-4-2)5-6-10-12(17)8-7-11(15)13(10)16/h7-9H,3-6,17H2,1-2H3
InChIKeyFAZLDLKKTCFGQO-UHFFFAOYSA-N
MW304.22 g/mol
LogP4.10
Rot. Bonds6

About ethyl 4-(6-amino-2,3-dichlorophenyl)-2-ethylbutanoate

ethyl 4-(6-amino-2,3-dichlorophenyl)-2-ethylbutanoate (PubChem CID 123268046) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is ethyl 4-(6-amino-2,3-dichlorophenyl)-2-ethylbutanoate.

Molecular Properties

Compound Nameethyl 4-(6-amino-2,3-dichlorophenyl)-2-ethylbutanoate
PubChem CID123268046
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Nameethyl 4-(6-amino-2,3-dichlorophenyl)-2-ethylbutanoate
SMILESCCOC(=O)C(CC)CCc1c(N)ccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2NO2/c1-3-9(14(18)19-4-2)5-6-10-12(17)8-7-11(15)13(10)16/h7-9H,3-6,17H2,1-2H3
InChIKeyFAZLDLKKTCFGQO-UHFFFAOYSA-N
XLogP4.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-amino-2,3-dichlorophenyl)-2-ethylbutanoate?
The IUPAC name of ethyl 4-(6-amino-2,3-dichlorophenyl)-2-ethylbutanoate (CID 123268046) is ethyl 4-(6-amino-2,3-dichlorophenyl)-2-ethylbutanoate.
What is the SMILES notation for ethyl 4-(6-amino-2,3-dichlorophenyl)-2-ethylbutanoate?
The canonical SMILES for ethyl 4-(6-amino-2,3-dichlorophenyl)-2-ethylbutanoate is CCOC(=O)C(CC)CCc1c(N)ccc(Cl)c1Cl.
What is the InChIKey of ethyl 4-(6-amino-2,3-dichlorophenyl)-2-ethylbutanoate?
The InChIKey is FAZLDLKKTCFGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c1-3-9(14(18)19-4-2)5-6-10-12(17)8-7-11(15)13(10)16/h7-9H,3-6,17H2,1-2H3.
What are the key properties of ethyl 4-(6-amino-2,3-dichlorophenyl)-2-ethylbutanoate?
ethyl 4-(6-amino-2,3-dichlorophenyl)-2-ethylbutanoate has a molecular weight of 304.22 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-amino-2,3-dichlorophenyl)-2-ethylbutanoate is sourced from PubChem (CID 123268046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).