[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(2,4-dichlorophenyl)furan-2-carboxylate

C17H14Cl2N2O5 — CID 8995094

IUPAC[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(2,4-dichlorophenyl)furan-2-carboxylate
SMILESC[C@H](OC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)N1CCNC1=O
InChIInChI=1S/C17H14Cl2N2O5/c1-9(15(22)21-7-6-20-17(21)24)25-16(23)14-5-4-13(26-14)11-3-2-10(18)8-12(11)19/h2-5,8-9H,6-7H2,1H3,(H,20,24)/t9-/m0/s1
InChIKeyTYSPBXZDKHEZAW-VIFPVBQESA-N
MW397.21 g/mol
LogP3.35
Rot. Bonds4

About [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(2,4-dichlorophenyl)furan-2-carboxylate

[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(2,4-dichlorophenyl)furan-2-carboxylate (PubChem CID 8995094) has the molecular formula C17H14Cl2N2O5 and a molecular weight of 397.21 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(2,4-dichlorophenyl)furan-2-carboxylate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(2,4-dichlorophenyl)furan-2-carboxylate
PubChem CID8995094
Molecular FormulaC17H14Cl2N2O5
Molecular Weight397.21 g/mol
Exact Mass396.03
IUPAC Name[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(2,4-dichlorophenyl)furan-2-carboxylate
SMILESC[C@H](OC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)N1CCNC1=O
InChIInChI=1S/C17H14Cl2N2O5/c1-9(15(22)21-7-6-20-17(21)24)25-16(23)14-5-4-13(26-14)11-3-2-10(18)8-12(11)19/h2-5,8-9H,6-7H2,1H3,(H,20,24)/t9-/m0/s1
InChIKeyTYSPBXZDKHEZAW-VIFPVBQESA-N
XLogP3.35
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.21
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-chloro-2-hydroxybenzoate
CID 8888771
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616826
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-2-(4-chloro-2-methylphenoxy)propanoate
CID 30500787
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-chloro-4,5-dimethoxybenzoate
CID 18091727
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-amino-3-chlorobenzoate
CID 24531317
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 7-chloro-1,3-benzodioxole-5-carboxylate
CID 8951435
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-iodobenzoate
CID 18090807
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3,5-difluorobenzoate
CID 8728241
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2,4,6-trimethylbenzoate
CID 18169660
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
CID 41078521
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(difluoromethoxy)benzoate
CID 18091292
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-iodobenzoate
CID 18090831

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(2,4-dichlorophenyl)furan-2-carboxylate?
The IUPAC name of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(2,4-dichlorophenyl)furan-2-carboxylate (CID 8995094) is [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(2,4-dichlorophenyl)furan-2-carboxylate.
What is the SMILES notation for [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(2,4-dichlorophenyl)furan-2-carboxylate?
The canonical SMILES for [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(2,4-dichlorophenyl)furan-2-carboxylate is C[C@H](OC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)N1CCNC1=O.
What is the InChIKey of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(2,4-dichlorophenyl)furan-2-carboxylate?
The InChIKey is TYSPBXZDKHEZAW-VIFPVBQESA-N. The full InChI is InChI=1S/C17H14Cl2N2O5/c1-9(15(22)21-7-6-20-17(21)24)25-16(23)14-5-4-13(26-14)11-3-2-10(18)8-12(11)19/h2-5,8-9H,6-7H2,1H3,(H,20,24)/t9-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(2,4-dichlorophenyl)furan-2-carboxylate?
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(2,4-dichlorophenyl)furan-2-carboxylate has a molecular weight of 397.21 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 5-(2,4-dichlorophenyl)furan-2-carboxylate is sourced from PubChem (CID 8995094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).