[2-(ethylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate

C11H13ClN2O3 — CID 63662207

IUPAC[2-(ethylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate
SMILESCCNC(=O)COC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C11H13ClN2O3/c1-2-14-9(15)6-17-11(16)10-7(12)4-3-5-8(10)13/h3-5H,2,6,13H2,1H3,(H,14,15)
InChIKeyRPJFHWMZBIQXEN-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.22
Rot. Bonds4

About [2-(ethylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate

[2-(ethylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate (PubChem CID 63662207) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate
PubChem CID63662207
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name[2-(ethylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate
SMILESCCNC(=O)COC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C11H13ClN2O3/c1-2-14-9(15)6-17-11(16)10-7(12)4-3-5-8(10)13/h3-5H,2,6,13H2,1H3,(H,14,15)
InChIKeyRPJFHWMZBIQXEN-UHFFFAOYSA-N
XLogP1.22
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(propylamino)ethyl] 2-amino-6-chlorobenzoate
CID 63662564
[2-(butylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate
CID 63663469
[2-(3-methoxypropylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate
CID 63662025
(2-ethoxy-2-oxoethyl) 2-amino-6-chlorobenzoate
CID 63663104
(2-anilino-2-oxoethyl) 2-amino-6-chlorobenzoate
CID 63663098
methyl 2-amino-6-chlorobenzoate;hydrochloride
CID 84819290
(2-oxo-2-propan-2-yloxyethyl) 2-amino-6-chlorobenzoate
CID 63661316
methoxymethyl 2-amino-6-chlorobenzoate
CID 65364299
(4-ethylphenyl)methyl 2-amino-6-chlorobenzoate
CID 63663287
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-6-chlorobenzoate
CID 104563019
[2-(benzylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2489076
[2-(butylamino)-2-oxoethyl] 2-amino-6-methoxybenzoate
CID 81414209

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate (CID 63662207) is [2-(ethylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate is CCNC(=O)COC(=O)c1c(N)cccc1Cl.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate?
The InChIKey is RPJFHWMZBIQXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-2-14-9(15)6-17-11(16)10-7(12)4-3-5-8(10)13/h3-5H,2,6,13H2,1H3,(H,14,15).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate?
[2-(ethylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate has a molecular weight of 256.69 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate is sourced from PubChem (CID 63662207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).