[2-(N-methylanilino)-2-oxoethyl] 3-fluorobenzoate

C16H14FNO3 — CID 2380174

IUPAC[2-(N-methylanilino)-2-oxoethyl] 3-fluorobenzoate
SMILESCN(C(=O)COC(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C16H14FNO3/c1-18(14-8-3-2-4-9-14)15(19)11-21-16(20)12-6-5-7-13(17)10-12/h2-10H,11H2,1H3
InChIKeyCVLFUAJWNXIEPC-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.65
Rot. Bonds4

About [2-(N-methylanilino)-2-oxoethyl] 3-fluorobenzoate

[2-(N-methylanilino)-2-oxoethyl] 3-fluorobenzoate (PubChem CID 2380174) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] 3-fluorobenzoate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] 3-fluorobenzoate
PubChem CID2380174
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] 3-fluorobenzoate
SMILESCN(C(=O)COC(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C16H14FNO3/c1-18(14-8-3-2-4-9-14)15(19)11-21-16(20)12-6-5-7-13(17)10-12/h2-10H,11H2,1H3
InChIKeyCVLFUAJWNXIEPC-UHFFFAOYSA-N
XLogP2.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 3-fluorobenzoate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 3-fluorobenzoate (CID 2380174) is [2-(N-methylanilino)-2-oxoethyl] 3-fluorobenzoate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] 3-fluorobenzoate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] 3-fluorobenzoate is CN(C(=O)COC(=O)c1cccc(F)c1)c1ccccc1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] 3-fluorobenzoate?
The InChIKey is CVLFUAJWNXIEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-18(14-8-3-2-4-9-14)15(19)11-21-16(20)12-6-5-7-13(17)10-12/h2-10H,11H2,1H3.
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] 3-fluorobenzoate?
[2-(N-methylanilino)-2-oxoethyl] 3-fluorobenzoate has a molecular weight of 287.29 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] 3-fluorobenzoate is sourced from PubChem (CID 2380174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).