[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate

C20H21FN2O4 — CID 9270127

IUPAC[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C20H21FN2O4/c1-3-14-8-6-7-13(2)19(14)23-17(24)12-27-18(25)11-22-20(26)15-9-4-5-10-16(15)21/h4-10H,3,11-12H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyMIPCHHUJXDAYFL-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.61
Rot. Bonds7

About [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 9270127) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID9270127
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C20H21FN2O4/c1-3-14-8-6-7-13(2)19(14)23-17(24)12-27-18(25)11-22-20(26)15-9-4-5-10-16(15)21/h4-10H,3,11-12H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyMIPCHHUJXDAYFL-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-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842165
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807837
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 4801774
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270550
2-chloro-N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-6-fluorobenzamide
CID 112997013
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983325
[2-(3-chloroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2602170
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate
CID 2109366
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270497
[2-(4-carbamoylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2602179
(3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate
CID 9270451
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate
CID 55307446

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (CID 9270127) is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is CCc1cccc(C)c1NC(=O)COC(=O)CNC(=O)c1ccccc1F.
What is the InChIKey of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is MIPCHHUJXDAYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-3-14-8-6-7-13(2)19(14)23-17(24)12-27-18(25)11-22-20(26)15-9-4-5-10-16(15)21/h4-10H,3,11-12H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate 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-ethyl-6-methylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 9270127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).