[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate

C20H21FN2O4 — CID 9387148

IUPAC[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
SMILESCCc1ccccc1NC(=O)CNC(=O)COC(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C20H21FN2O4/c1-3-14-6-4-5-7-17(14)23-18(24)11-22-19(25)12-27-20(26)15-9-8-13(2)16(21)10-15/h4-10H,3,11-12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyTXJQRWGRNYWXFA-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.61
Rot. Bonds7

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

[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate (PubChem CID 9387148) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate.

Molecular Properties

Compound Name[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
PubChem CID9387148
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
SMILESCCc1ccccc1NC(=O)CNC(=O)COC(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C20H21FN2O4/c1-3-14-6-4-5-7-17(14)23-18(24)11-22-19(25)12-27-20(26)15-9-8-13(2)16(21)10-15/h4-10H,3,11-12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyTXJQRWGRNYWXFA-UHFFFAOYSA-N
XLogP2.61
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386498
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 9078999
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 40722597
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386534
[2-(benzylamino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386501
[2-oxo-2-(2-phenoxyethylamino)ethyl] 3-fluoro-4-methylbenzoate
CID 9386992
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 40721484
methyl 4-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethoxy]-3-methoxybenzoate
CID 8807995
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9386285
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386525
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 9290698
(2-fluorophenyl)methyl 3-fluoro-4-methylbenzoate
CID 52515102

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate?
The IUPAC name of [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate (CID 9387148) is [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate.
What is the SMILES notation for [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate?
The canonical SMILES for [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate is CCc1ccccc1NC(=O)CNC(=O)COC(=O)c1ccc(C)c(F)c1.
What is the InChIKey of [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate?
The InChIKey is TXJQRWGRNYWXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-3-14-6-4-5-7-17(14)23-18(24)11-22-19(25)12-27-20(26)15-9-8-13(2)16(21)10-15/h4-10H,3,11-12H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate?
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate has a molecular weight of 372.40 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate is sourced from PubChem (CID 9387148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).