[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate

C18H17ClFNO3 — CID 2435833

IUPAC[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESC[C@@H](NC(=O)COC(=O)Cc1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C18H17ClFNO3/c1-12(13-6-3-2-4-7-13)21-17(22)11-24-18(23)10-14-15(19)8-5-9-16(14)20/h2-9,12H,10-11H2,1H3,(H,21,22)/t12-/m1/s1
InChIKeyDYXCNWKIMNGSMH-GFCCVEGCSA-N
MW349.79 g/mol
LogP3.44
Rot. Bonds6

About [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 2435833) has the molecular formula C18H17ClFNO3 and a molecular weight of 349.79 g/mol. Its IUPAC name is [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate
PubChem CID2435833
Molecular FormulaC18H17ClFNO3
Molecular Weight349.79 g/mol
Exact Mass349.09
IUPAC Name[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESC[C@@H](NC(=O)COC(=O)Cc1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C18H17ClFNO3/c1-12(13-6-3-2-4-7-13)21-17(22)11-24-18(23)10-14-15(19)8-5-9-16(14)20/h2-9,12H,10-11H2,1H3,(H,21,22)/t12-/m1/s1
InChIKeyDYXCNWKIMNGSMH-GFCCVEGCSA-N
XLogP3.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 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

[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718405
2-(2-chloro-6-fluorophenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 839132
[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718188
methyl (2R)-2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]-4-methylpentanoate
CID 9202776
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(4-chlorophenyl)acetate
CID 2390853
N-[1-(3-aminophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 43297617
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718250
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(2-fluorophenoxy)acetate
CID 7842381
2-(2-chloro-6-fluorophenyl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 42998538
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718377
[1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(2-chloro-6-fluorophenyl)acetate
CID 16523065
2-(2-chloro-6-fluorophenyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 55611461

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate (CID 2435833) is [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate is C[C@@H](NC(=O)COC(=O)Cc1c(F)cccc1Cl)c1ccccc1.
What is the InChIKey of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The InChIKey is DYXCNWKIMNGSMH-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17ClFNO3/c1-12(13-6-3-2-4-7-13)21-17(22)11-24-18(23)10-14-15(19)8-5-9-16(14)20/h2-9,12H,10-11H2,1H3,(H,21,22)/t12-/m1/s1.
What are the key properties of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate?
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 349.79 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 2435833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).