2-ethoxyethyl 4-amino-3,5-dichlorobenzoate

C11H13Cl2NO3 — CID 82706147

IUPAC2-ethoxyethyl 4-amino-3,5-dichlorobenzoate
SMILESCCOCCOC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO3/c1-2-16-3-4-17-11(15)7-5-8(12)10(14)9(13)6-7/h5-6H,2-4,14H2,1H3
InChIKeyDIOLCZQRNHCOFW-UHFFFAOYSA-N
MW278.13 g/mol
LogP2.77
Rot. Bonds5

About 2-ethoxyethyl 4-amino-3,5-dichlorobenzoate

2-ethoxyethyl 4-amino-3,5-dichlorobenzoate (PubChem CID 82706147) has the molecular formula C11H13Cl2NO3 and a molecular weight of 278.13 g/mol. Its IUPAC name is 2-ethoxyethyl 4-amino-3,5-dichlorobenzoate.

Molecular Properties

Compound Name2-ethoxyethyl 4-amino-3,5-dichlorobenzoate
PubChem CID82706147
Molecular FormulaC11H13Cl2NO3
Molecular Weight278.13 g/mol
Exact Mass277.03
IUPAC Name2-ethoxyethyl 4-amino-3,5-dichlorobenzoate
SMILESCCOCCOC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C11H13Cl2NO3/c1-2-16-3-4-17-11(15)7-5-8(12)10(14)9(13)6-7/h5-6H,2-4,14H2,1H3
InChIKeyDIOLCZQRNHCOFW-UHFFFAOYSA-N
XLogP2.77
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.13
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]ethyl 4-amino-3,5-dichlorobenzoate
CID 112706585
2-ethoxyethyl 3,4,5-trifluorobenzoate
CID 63237218
2-methylpropyl 4-amino-3,5-dichlorobenzoate
CID 10967287
2-ethoxyethyl 2-amino-3,5-dimethylbenzoate
CID 55178460
ethyl 3,4,5-trichlorobenzoate
CID 14692896
2-acetyloxyethyl 4-amino-3-chloro-5-(diethylaminomethyl)benzoate
CID 20516395
2-[2-(2-ethoxyethoxy)ethoxy]ethyl 4-hydroxybenzoate
CID 86171839
2-(2-ethoxyethoxy)ethyl 2-aminobenzoate
CID 82096864
3-ethoxypropyl 4-amino-2-chlorobenzoate
CID 65180615
2-ethoxyethyl 3-amino-4-(dimethylamino)benzoate
CID 61308490
butyl 3-amino-4,5-dichlorobenzoate
CID 56828506
1-methoxypropan-2-yl 4-amino-3,5-dichlorobenzoate
CID 82830079

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 4-amino-3,5-dichlorobenzoate?
The IUPAC name of 2-ethoxyethyl 4-amino-3,5-dichlorobenzoate (CID 82706147) is 2-ethoxyethyl 4-amino-3,5-dichlorobenzoate.
What is the SMILES notation for 2-ethoxyethyl 4-amino-3,5-dichlorobenzoate?
The canonical SMILES for 2-ethoxyethyl 4-amino-3,5-dichlorobenzoate is CCOCCOC(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 2-ethoxyethyl 4-amino-3,5-dichlorobenzoate?
The InChIKey is DIOLCZQRNHCOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO3/c1-2-16-3-4-17-11(15)7-5-8(12)10(14)9(13)6-7/h5-6H,2-4,14H2,1H3.
What are the key properties of 2-ethoxyethyl 4-amino-3,5-dichlorobenzoate?
2-ethoxyethyl 4-amino-3,5-dichlorobenzoate has a molecular weight of 278.13 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 4-amino-3,5-dichlorobenzoate is sourced from PubChem (CID 82706147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).