[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate

C20H21ClFNO3 — CID 7718377

IUPAC[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESCC[C@H](C)c1ccccc1NC(=O)COC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C20H21ClFNO3/c1-3-13(2)14-7-4-5-10-18(14)23-19(24)12-26-20(25)11-15-16(21)8-6-9-17(15)22/h4-10,13H,3,11-12H2,1-2H3,(H,23,24)/t13-/m0/s1
InChIKeyNAIWCJXTJLDIIY-ZDUSSCGKSA-N
MW377.84 g/mol
LogP4.72
Rot. Bonds7

About [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate

[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 7718377) has the molecular formula C20H21ClFNO3 and a molecular weight of 377.84 g/mol. Its IUPAC name is [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
PubChem CID7718377
Molecular FormulaC20H21ClFNO3
Molecular Weight377.84 g/mol
Exact Mass377.12
IUPAC Name[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESCC[C@H](C)c1ccccc1NC(=O)COC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C20H21ClFNO3/c1-3-13(2)14-7-4-5-10-18(14)23-19(24)12-26-20(25)11-15-16(21)8-6-9-17(15)22/h4-10,13H,3,11-12H2,1-2H3,(H,23,24)/t13-/m0/s1
InChIKeyNAIWCJXTJLDIIY-ZDUSSCGKSA-N
XLogP4.72
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 ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7718380
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718355
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate
CID 8649135
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 2435833
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270550
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718388
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011834
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718405
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544642
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718250
[2-(2-acetylanilino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2605985
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2399542

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (CID 7718377) is [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate is CC[C@H](C)c1ccccc1NC(=O)COC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The InChIKey is NAIWCJXTJLDIIY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21ClFNO3/c1-3-13(2)14-7-4-5-10-18(14)23-19(24)12-26-20(25)11-15-16(21)8-6-9-17(15)22/h4-10,13H,3,11-12H2,1-2H3,(H,23,24)/t13-/m0/s1.
What are the key properties of [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 377.84 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 7718377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).