[2-(cyclopropylamino)-2-oxoethyl] 2,6-dichlorobenzoate

C12H11Cl2NO3 — CID 2096945

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2,6-dichlorobenzoate
SMILESO=C(COC(=O)c1c(Cl)cccc1Cl)NC1CC1
InChIInChI=1S/C12H11Cl2NO3/c13-8-2-1-3-9(14)11(8)12(17)18-6-10(16)15-7-4-5-7/h1-3,7H,4-6H2,(H,15,16)
InChIKeySPAICMOQVLZKJW-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.43
Rot. Bonds4

About [2-(cyclopropylamino)-2-oxoethyl] 2,6-dichlorobenzoate

[2-(cyclopropylamino)-2-oxoethyl] 2,6-dichlorobenzoate (PubChem CID 2096945) has the molecular formula C12H11Cl2NO3 and a molecular weight of 288.13 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2,6-dichlorobenzoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2,6-dichlorobenzoate
PubChem CID2096945
Molecular FormulaC12H11Cl2NO3
Molecular Weight288.13 g/mol
Exact Mass287.01
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2,6-dichlorobenzoate
SMILESO=C(COC(=O)c1c(Cl)cccc1Cl)NC1CC1
InChIInChI=1S/C12H11Cl2NO3/c13-8-2-1-3-9(14)11(8)12(17)18-6-10(16)15-7-4-5-7/h1-3,7H,4-6H2,(H,15,16)
InChIKeySPAICMOQVLZKJW-UHFFFAOYSA-N
XLogP2.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(cyclooctylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2489093
[2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate
CID 4804286
[2-(cyclopropylamino)-2-oxoethyl] 2-amino-6-methylbenzoate
CID 61321740
[2-(cyclopropylamino)-2-oxoethyl] 4-amino-2-chlorobenzoate
CID 61236477
N-cyclopropyl-2-(2,6-dichlorophenyl)acetamide
CID 2682749
[2-(cyclohexylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2432962
[2-(cyclopropylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2570348
[2-(cyclopropylamino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 3508705
[2-(4-chloroanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723836
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 2630625
[2-(cycloheptylamino)-2-oxoethyl] 3-chlorobenzoate
CID 2121282
[2-(benzylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2489076

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2,6-dichlorobenzoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2,6-dichlorobenzoate (CID 2096945) is [2-(cyclopropylamino)-2-oxoethyl] 2,6-dichlorobenzoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2,6-dichlorobenzoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2,6-dichlorobenzoate is O=C(COC(=O)c1c(Cl)cccc1Cl)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2,6-dichlorobenzoate?
The InChIKey is SPAICMOQVLZKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO3/c13-8-2-1-3-9(14)11(8)12(17)18-6-10(16)15-7-4-5-7/h1-3,7H,4-6H2,(H,15,16).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2,6-dichlorobenzoate?
[2-(cyclopropylamino)-2-oxoethyl] 2,6-dichlorobenzoate has a molecular weight of 288.13 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2,6-dichlorobenzoate is sourced from PubChem (CID 2096945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).