[2-(cyclopropylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate

C12H11ClFNO3 — CID 2570348

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1Cl)NC1CC1
InChIInChI=1S/C12H11ClFNO3/c13-10-5-7(14)1-4-9(10)12(17)18-6-11(16)15-8-2-3-8/h1,4-5,8H,2-3,6H2,(H,15,16)
InChIKeyAPOJXDQOMFRVLW-UHFFFAOYSA-N
MW271.67 g/mol
LogP1.91
Rot. Bonds4

About [2-(cyclopropylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate

[2-(cyclopropylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate (PubChem CID 2570348) has the molecular formula C12H11ClFNO3 and a molecular weight of 271.67 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
PubChem CID2570348
Molecular FormulaC12H11ClFNO3
Molecular Weight271.67 g/mol
Exact Mass271.04
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1Cl)NC1CC1
InChIInChI=1S/C12H11ClFNO3/c13-10-5-7(14)1-4-9(10)12(17)18-6-11(16)15-8-2-3-8/h1,4-5,8H,2-3,6H2,(H,15,16)
InChIKeyAPOJXDQOMFRVLW-UHFFFAOYSA-N
XLogP1.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.67
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] 4-amino-2-chlorobenzoate
CID 61236477
[2-(methylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2416966
[2-(cyclopropylamino)-2-oxoethyl] 4-bromo-2-fluorobenzoate
CID 9387808
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2353255
[2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate
CID 4804286
[2-(4-bromoanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2570281
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2349879
[2-(4-methylanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2349809
[2-(cyclopropylamino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7887546
[2-(cycloheptylamino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 4803859
[2-(cyclopropylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2096945
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate
CID 7500066

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate (CID 2570348) is [2-(cyclopropylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate is O=C(COC(=O)c1ccc(F)cc1Cl)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate?
The InChIKey is APOJXDQOMFRVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO3/c13-10-5-7(14)1-4-9(10)12(17)18-6-11(16)15-8-2-3-8/h1,4-5,8H,2-3,6H2,(H,15,16).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate?
[2-(cyclopropylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate has a molecular weight of 271.67 g/mol, XLogP of 1.91, 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-chloro-4-fluorobenzoate is sourced from PubChem (CID 2570348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).