ethyl 2-amino-3,5-dichlorobenzoate

C9H9Cl2NO2 — CID 15087809

IUPACethyl 2-amino-3,5-dichlorobenzoate
SMILESCCOC(=O)c1cc(Cl)cc(Cl)c1N
InChIInChI=1S/C9H9Cl2NO2/c1-2-14-9(13)6-3-5(10)4-7(11)8(6)12/h3-4H,2,12H2,1H3
InChIKeyVPLRCCUPLQJQDP-UHFFFAOYSA-N
MW234.08 g/mol
LogP2.75
Rot. Bonds2

About ethyl 2-amino-3,5-dichlorobenzoate

ethyl 2-amino-3,5-dichlorobenzoate (PubChem CID 15087809) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is ethyl 2-amino-3,5-dichlorobenzoate.

Molecular Properties

Compound Nameethyl 2-amino-3,5-dichlorobenzoate
PubChem CID15087809
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC Nameethyl 2-amino-3,5-dichlorobenzoate
SMILESCCOC(=O)c1cc(Cl)cc(Cl)c1N
InChIInChI=1S/C9H9Cl2NO2/c1-2-14-9(13)6-3-5(10)4-7(11)8(6)12/h3-4H,2,12H2,1H3
InChIKeyVPLRCCUPLQJQDP-UHFFFAOYSA-N
XLogP2.75
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3,5-dichloro-2-methylbenzoate
CID 82883321
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2620423
ethyl 3,5-dichloro-2-iodobenzoate
CID 75361260
ethyl 2-amino-5-chloro-3-nitrobenzoate
CID 151233060
ethyl 2,4,6-trichlorobenzoate
CID 91733956
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
[2-(2,4-dimethylphenyl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 7864776
[2-(butylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2620389
[2-(2,5-diethylphenyl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 7864701
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-amino-3,5-dichlorobenzoate
CID 16539444
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 7864829

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3,5-dichlorobenzoate?
The IUPAC name of ethyl 2-amino-3,5-dichlorobenzoate (CID 15087809) is ethyl 2-amino-3,5-dichlorobenzoate.
What is the SMILES notation for ethyl 2-amino-3,5-dichlorobenzoate?
The canonical SMILES for ethyl 2-amino-3,5-dichlorobenzoate is CCOC(=O)c1cc(Cl)cc(Cl)c1N.
What is the InChIKey of ethyl 2-amino-3,5-dichlorobenzoate?
The InChIKey is VPLRCCUPLQJQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c1-2-14-9(13)6-3-5(10)4-7(11)8(6)12/h3-4H,2,12H2,1H3.
What are the key properties of ethyl 2-amino-3,5-dichlorobenzoate?
ethyl 2-amino-3,5-dichlorobenzoate has a molecular weight of 234.08 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3,5-dichlorobenzoate is sourced from PubChem (CID 15087809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).