[2-(3-methoxyanilino)-2-oxoethyl] 2-fluorobenzoate

C16H14FNO4 — CID 2427280

IUPAC[2-(3-methoxyanilino)-2-oxoethyl] 2-fluorobenzoate
SMILESCOc1cccc(NC(=O)COC(=O)c2ccccc2F)c1
InChIInChI=1S/C16H14FNO4/c1-21-12-6-4-5-11(9-12)18-15(19)10-22-16(20)13-7-2-3-8-14(13)17/h2-9H,10H2,1H3,(H,18,19)
InChIKeyLIUULXCNDNKTED-UHFFFAOYSA-N
MW303.29 g/mol
LogP2.63
Rot. Bonds5

About [2-(3-methoxyanilino)-2-oxoethyl] 2-fluorobenzoate

[2-(3-methoxyanilino)-2-oxoethyl] 2-fluorobenzoate (PubChem CID 2427280) has the molecular formula C16H14FNO4 and a molecular weight of 303.29 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl] 2-fluorobenzoate.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxoethyl] 2-fluorobenzoate
PubChem CID2427280
Molecular FormulaC16H14FNO4
Molecular Weight303.29 g/mol
Exact Mass303.09
IUPAC Name[2-(3-methoxyanilino)-2-oxoethyl] 2-fluorobenzoate
SMILESCOc1cccc(NC(=O)COC(=O)c2ccccc2F)c1
InChIInChI=1S/C16H14FNO4/c1-21-12-6-4-5-11(9-12)18-15(19)10-22-16(20)13-7-2-3-8-14(13)17/h2-9H,10H2,1H3,(H,18,19)
InChIKeyLIUULXCNDNKTED-UHFFFAOYSA-N
XLogP2.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7887503
[2-(3-methoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7586721
[2-(3-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2337004
[2-(3-fluoroanilino)-2-oxoethyl] 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 42104493
[2-(3-methoxyanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3641947
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
4-O-[2-(3-methoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296644
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555202
[2-(3-methoxyanilino)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 7771223
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7864189
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-fluorobenzoate
CID 2512939
[2-(3-fluoroanilino)-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 2524188

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-fluorobenzoate?
The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-fluorobenzoate (CID 2427280) is [2-(3-methoxyanilino)-2-oxoethyl] 2-fluorobenzoate.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl] 2-fluorobenzoate?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl] 2-fluorobenzoate is COc1cccc(NC(=O)COC(=O)c2ccccc2F)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl] 2-fluorobenzoate?
The InChIKey is LIUULXCNDNKTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO4/c1-21-12-6-4-5-11(9-12)18-15(19)10-22-16(20)13-7-2-3-8-14(13)17/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl] 2-fluorobenzoate?
[2-(3-methoxyanilino)-2-oxoethyl] 2-fluorobenzoate has a molecular weight of 303.29 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-2-oxoethyl] 2-fluorobenzoate is sourced from PubChem (CID 2427280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).