ethoxymethyl 2-amino-4-chlorobenzoate

C10H12ClNO3 — CID 65369666

IUPACethoxymethyl 2-amino-4-chlorobenzoate
SMILESCCOCOC(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C10H12ClNO3/c1-2-14-6-15-10(13)8-4-3-7(11)5-9(8)12/h3-5H,2,6,12H2,1H3
InChIKeyJJICCSQRXCMRMN-UHFFFAOYSA-N
MW229.66 g/mol
LogP2.07
Rot. Bonds4

About ethoxymethyl 2-amino-4-chlorobenzoate

ethoxymethyl 2-amino-4-chlorobenzoate (PubChem CID 65369666) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is ethoxymethyl 2-amino-4-chlorobenzoate.

Molecular Properties

Compound Nameethoxymethyl 2-amino-4-chlorobenzoate
PubChem CID65369666
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Nameethoxymethyl 2-amino-4-chlorobenzoate
SMILESCCOCOC(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C10H12ClNO3/c1-2-14-6-15-10(13)8-4-3-7(11)5-9(8)12/h3-5H,2,6,12H2,1H3
InChIKeyJJICCSQRXCMRMN-UHFFFAOYSA-N
XLogP2.07
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 52.07
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

propyl 2-amino-4-chlorobenzoate
CID 28690133
(2-ethoxy-2-oxoethyl) 2-amino-4-chlorobenzoate
CID 60642858
ethoxymethyl 5-amino-2-chlorobenzoate
CID 65369551
(2-amino-2-oxoethyl) 2-amino-4-chlorobenzoate
CID 2389727
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
2-amino-4-chloro-N,N-diethylbenzamide
CID 16773722
cyclopropylmethyl 2-amino-4-chlorobenzoate
CID 28690164
[2-(butylamino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7864446
(4-propan-2-ylphenyl)methyl 2-amino-4-chlorobenzoate
CID 60644459
ethyl 5-(2-amino-4-chlorobenzoyl)-2H-triazole-4-carboxylate
CID 18358857
bis(2-amino-4-chlorophenyl)methanone
CID 15130044
[2-(4-acetamidoanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7864627

Frequently Asked Questions

What is the IUPAC name of ethoxymethyl 2-amino-4-chlorobenzoate?
The IUPAC name of ethoxymethyl 2-amino-4-chlorobenzoate (CID 65369666) is ethoxymethyl 2-amino-4-chlorobenzoate.
What is the SMILES notation for ethoxymethyl 2-amino-4-chlorobenzoate?
The canonical SMILES for ethoxymethyl 2-amino-4-chlorobenzoate is CCOCOC(=O)c1ccc(Cl)cc1N.
What is the InChIKey of ethoxymethyl 2-amino-4-chlorobenzoate?
The InChIKey is JJICCSQRXCMRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-2-14-6-15-10(13)8-4-3-7(11)5-9(8)12/h3-5H,2,6,12H2,1H3.
What are the key properties of ethoxymethyl 2-amino-4-chlorobenzoate?
ethoxymethyl 2-amino-4-chlorobenzoate has a molecular weight of 229.66 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethyl 2-amino-4-chlorobenzoate is sourced from PubChem (CID 65369666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).