[2-(4-ethylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate

C18H18FNO4 — CID 7991360

IUPAC[2-(4-ethylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
SMILESCCc1ccc(NC(=O)COC(=O)c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C18H18FNO4/c1-3-12-4-7-14(8-5-12)20-17(21)11-24-18(22)13-6-9-16(23-2)15(19)10-13/h4-10H,3,11H2,1-2H3,(H,20,21)
InChIKeyNMLYNUXGMHKHQJ-UHFFFAOYSA-N
MW331.34 g/mol
LogP3.19
Rot. Bonds6

About [2-(4-ethylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate

[2-(4-ethylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate (PubChem CID 7991360) has the molecular formula C18H18FNO4 and a molecular weight of 331.34 g/mol. Its IUPAC name is [2-(4-ethylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate.

Molecular Properties

Compound Name[2-(4-ethylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
PubChem CID7991360
Molecular FormulaC18H18FNO4
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name[2-(4-ethylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
SMILESCCc1ccc(NC(=O)COC(=O)c2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C18H18FNO4/c1-3-12-4-7-14(8-5-12)20-17(21)11-24-18(22)13-6-9-16(23-2)15(19)10-13/h4-10H,3,11H2,1-2H3,(H,20,21)
InChIKeyNMLYNUXGMHKHQJ-UHFFFAOYSA-N
XLogP3.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-butylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 8702354
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 8540649
[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-fluoro-4-methoxybenzoate
CID 7522974
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 4-ethylbenzoate
CID 2607173
[2-(3,4-dichloroanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 8702259
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991388
[2-(3-bromoanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991384
[2-(4-fluoroanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501342
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 3-fluoro-4-methoxybenzoate
CID 7991426
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 18195720
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7523020
[2-(4-chloroanilino)-2-oxoethyl] 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 25439557

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate?
The IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate (CID 7991360) is [2-(4-ethylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate.
What is the SMILES notation for [2-(4-ethylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate?
The canonical SMILES for [2-(4-ethylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate is CCc1ccc(NC(=O)COC(=O)c2ccc(OC)c(F)c2)cc1.
What is the InChIKey of [2-(4-ethylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate?
The InChIKey is NMLYNUXGMHKHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4/c1-3-12-4-7-14(8-5-12)20-17(21)11-24-18(22)13-6-9-16(23-2)15(19)10-13/h4-10H,3,11H2,1-2H3,(H,20,21).
What are the key properties of [2-(4-ethylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate?
[2-(4-ethylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate has a molecular weight of 331.34 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate is sourced from PubChem (CID 7991360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).