[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate

C20H21ClFNO3 — CID 7718355

IUPAC[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C20H21ClFNO3/c1-3-13-7-5-8-14(4-2)20(13)23-18(24)12-26-19(25)11-15-16(21)9-6-10-17(15)22/h5-10H,3-4,11-12H2,1-2H3,(H,23,24)
InChIKeyDJGYVQKNRFXZGD-UHFFFAOYSA-N
MW377.84 g/mol
LogP4.33
Rot. Bonds7

About [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate

[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 7718355) has the molecular formula C20H21ClFNO3 and a molecular weight of 377.84 g/mol. Its IUPAC name is [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
PubChem CID7718355
Molecular FormulaC20H21ClFNO3
Molecular Weight377.84 g/mol
Exact Mass377.12
IUPAC Name[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C20H21ClFNO3/c1-3-13-7-5-8-14(4-2)20(13)23-18(24)12-26-19(25)11-15-16(21)9-6-10-17(15)22/h5-10H,3-4,11-12H2,1-2H3,(H,23,24)
InChIKeyDJGYVQKNRFXZGD-UHFFFAOYSA-N
XLogP4.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,6-diethylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 1191215
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718377
methyl 2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7718380
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718250
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 7847332
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718388
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 2386397
[2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718199
2-(2,6-dichlorophenyl)-N-(2,6-diethylphenyl)acetamide
CID 7700454
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 2435833
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718405
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718334

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (CID 7718355) is [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate is CCc1cccc(CC)c1NC(=O)COC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The InChIKey is DJGYVQKNRFXZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFNO3/c1-3-13-7-5-8-14(4-2)20(13)23-18(24)12-26-19(25)11-15-16(21)9-6-10-17(15)22/h5-10H,3-4,11-12H2,1-2H3,(H,23,24).
What are the key properties of [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 377.84 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 7718355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).