[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenoxybenzoate

C22H18FNO4 — CID 2454502

IUPAC[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenoxybenzoate
SMILESCc1ccc(NC(=O)COC(=O)c2ccccc2Oc2ccccc2)cc1F
InChIInChI=1S/C22H18FNO4/c1-15-11-12-16(13-19(15)23)24-21(25)14-27-22(26)18-9-5-6-10-20(18)28-17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,24,25)
InChIKeyDTEGSGAWDZAIEZ-UHFFFAOYSA-N
MW379.39 g/mol
LogP4.72
Rot. Bonds6

About [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenoxybenzoate

[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenoxybenzoate (PubChem CID 2454502) has the molecular formula C22H18FNO4 and a molecular weight of 379.39 g/mol. Its IUPAC name is [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenoxybenzoate.

Molecular Properties

Compound Name[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenoxybenzoate
PubChem CID2454502
Molecular FormulaC22H18FNO4
Molecular Weight379.39 g/mol
Exact Mass379.12
IUPAC Name[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenoxybenzoate
SMILESCc1ccc(NC(=O)COC(=O)c2ccccc2Oc2ccccc2)cc1F
InChIInChI=1S/C22H18FNO4/c1-15-11-12-16(13-19(15)23)24-21(25)14-27-22(26)18-9-5-6-10-20(18)28-17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,24,25)
InChIKeyDTEGSGAWDZAIEZ-UHFFFAOYSA-N
XLogP4.72
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-phenoxybenzoate
CID 7760857
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenoxybenzoate
CID 2498559
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 7247656
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2411097
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7561072
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxybenzoate
CID 2498662
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2570088
[2-oxo-2-(4-phenoxyanilino)ethyl] 2,4-difluorobenzoate
CID 7951628
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2584358
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229186
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenylacetate
CID 7874560
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(4-methylphenyl)benzoate
CID 2335239

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenoxybenzoate?
The IUPAC name of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenoxybenzoate (CID 2454502) is [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenoxybenzoate.
What is the SMILES notation for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenoxybenzoate?
The canonical SMILES for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenoxybenzoate is Cc1ccc(NC(=O)COC(=O)c2ccccc2Oc2ccccc2)cc1F.
What is the InChIKey of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenoxybenzoate?
The InChIKey is DTEGSGAWDZAIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO4/c1-15-11-12-16(13-19(15)23)24-21(25)14-27-22(26)18-9-5-6-10-20(18)28-17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,24,25).
What are the key properties of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenoxybenzoate?
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenoxybenzoate has a molecular weight of 379.39 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-phenoxybenzoate is sourced from PubChem (CID 2454502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).