[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate

C20H19F2NO3 — CID 8586909

IUPAC[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
SMILESC[C@H](NC(=O)COC(=O)C1(c2ccccc2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C20H19F2NO3/c1-13(16-8-7-15(21)11-17(16)22)23-18(24)12-26-19(25)20(9-10-20)14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3,(H,23,24)/t13-/m0/s1
InChIKeyNMUOIGSNUIZGGV-ZDUSSCGKSA-N
MW359.37 g/mol
LogP3.42
Rot. Bonds6

About [2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate

[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate (PubChem CID 8586909) has the molecular formula C20H19F2NO3 and a molecular weight of 359.37 g/mol. Its IUPAC name is [2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
PubChem CID8586909
Molecular FormulaC20H19F2NO3
Molecular Weight359.37 g/mol
Exact Mass359.13
IUPAC Name[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
SMILESC[C@H](NC(=O)COC(=O)C1(c2ccccc2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C20H19F2NO3/c1-13(16-8-7-15(21)11-17(16)22)23-18(24)12-26-19(25)20(9-10-20)14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3,(H,23,24)/t13-/m0/s1
InChIKeyNMUOIGSNUIZGGV-ZDUSSCGKSA-N
XLogP3.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate with MolForge

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Related Compounds

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-phenylcyclopropane-1-carboxylate
CID 2113866
[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] benzoate
CID 7514907
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 8589689
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenoxyacetamide
CID 8782142
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 1-phenylcyclopentane-1-carboxylate
CID 7455392
[2-oxo-2-(1-phenylethylamino)ethyl] 1-phenylcyclopentane-1-carboxylate
CID 18075665
[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 2-hydroxybenzoate
CID 7484632
[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 4-hydroxybenzoate
CID 7477760
[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 8909021
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 18201850
[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791391
[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8641475

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The IUPAC name of [2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate (CID 8586909) is [2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The canonical SMILES for [2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate is C[C@H](NC(=O)COC(=O)C1(c2ccccc2)CC1)c1ccc(F)cc1F.
What is the InChIKey of [2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The InChIKey is NMUOIGSNUIZGGV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H19F2NO3/c1-13(16-8-7-15(21)11-17(16)22)23-18(24)12-26-19(25)20(9-10-20)14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3,(H,23,24)/t13-/m0/s1.
What are the key properties of [2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate has a molecular weight of 359.37 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 8586909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).