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

C10H9ClFNO3 — CID 2416966

IUPAC[2-(methylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
SMILESCNC(=O)COC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C10H9ClFNO3/c1-13-9(14)5-16-10(15)7-3-2-6(12)4-8(7)11/h2-4H,5H2,1H3,(H,13,14)
InChIKeyBGYODUIPVUFNKB-UHFFFAOYSA-N
MW245.64 g/mol
LogP1.38
Rot. Bonds3

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

[2-(methylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate (PubChem CID 2416966) has the molecular formula C10H9ClFNO3 and a molecular weight of 245.64 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
PubChem CID2416966
Molecular FormulaC10H9ClFNO3
Molecular Weight245.64 g/mol
Exact Mass245.03
IUPAC Name[2-(methylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
SMILESCNC(=O)COC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C10H9ClFNO3/c1-13-9(14)5-16-10(15)7-3-2-6(12)4-8(7)11/h2-4H,5H2,1H3,(H,13,14)
InChIKeyBGYODUIPVUFNKB-UHFFFAOYSA-N
XLogP1.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.64
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-methylanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2349809
[2-(cyclopropylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2570348
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2353255
[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-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2570088
[2-(2-cyanoethylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 8764105
[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 8937377
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2397872
[2-(methylcarbamoylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 40704389
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 7826005
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2346530

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate (CID 2416966) is [2-(methylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate is CNC(=O)COC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate?
The InChIKey is BGYODUIPVUFNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO3/c1-13-9(14)5-16-10(15)7-3-2-6(12)4-8(7)11/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of [2-(methylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate?
[2-(methylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate has a molecular weight of 245.64 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate is sourced from PubChem (CID 2416966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).