[2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate

C16H14FNO4 — CID 2611829

IUPAC[2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)Nc2ccccc2F)c(O)c1
InChIInChI=1S/C16H14FNO4/c1-10-6-7-11(14(19)8-10)16(21)22-9-15(20)18-13-5-3-2-4-12(13)17/h2-8,19H,9H2,1H3,(H,18,20)
InChIKeyFKAOOGDPJRBOJH-UHFFFAOYSA-N
MW303.29 g/mol
LogP2.64
Rot. Bonds4

About [2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate

[2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate (PubChem CID 2611829) has the molecular formula C16H14FNO4 and a molecular weight of 303.29 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
PubChem CID2611829
Molecular FormulaC16H14FNO4
Molecular Weight303.29 g/mol
Exact Mass303.09
IUPAC Name[2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)Nc2ccccc2F)c(O)c1
InChIInChI=1S/C16H14FNO4/c1-10-6-7-11(14(19)8-10)16(21)22-9-15(20)18-13-5-3-2-4-12(13)17/h2-8,19H,9H2,1H3,(H,18,20)
InChIKeyFKAOOGDPJRBOJH-UHFFFAOYSA-N
XLogP2.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-acetylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611608
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771265
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 8581743
[2-(2-fluoroanilino)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 2630367
[2-(2-fluoroanilino)-2-oxoethyl] 4-methoxy-2-methylbenzoate
CID 46924950
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-bromobenzoate
CID 7775273
[2-(2-fluoroanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2566490
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771224
[2-(4-bromoanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611638
[2-(4-ethylanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611776
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2,3-dimethylbenzoate
CID 7968230
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7862809

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate (CID 2611829) is [2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate.
What is the SMILES notation for [2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The canonical SMILES for [2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate is Cc1ccc(C(=O)OCC(=O)Nc2ccccc2F)c(O)c1.
What is the InChIKey of [2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The InChIKey is FKAOOGDPJRBOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO4/c1-10-6-7-11(14(19)8-10)16(21)22-9-15(20)18-13-5-3-2-4-12(13)17/h2-8,19H,9H2,1H3,(H,18,20).
What are the key properties of [2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
[2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate has a molecular weight of 303.29 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate is sourced from PubChem (CID 2611829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).