[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)propanoate

C18H17F2N3O6 — CID 39968538

IUPAC[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)propanoate
SMILESC[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H17F2N3O6/c1-10(22-17(26)14-3-2-6-28-14)18(27)29-9-16(25)21-8-15(24)23-11-4-5-12(19)13(20)7-11/h2-7,10H,8-9H2,1H3,(H,21,25)(H,22,26)(H,23,24)/t10-/m1/s1
InChIKeyMDFDDIBOGJPITP-SNVBAGLBSA-N
MW409.35 g/mol
LogP0.97
Rot. Bonds8

About [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)propanoate

[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)propanoate (PubChem CID 39968538) has the molecular formula C18H17F2N3O6 and a molecular weight of 409.35 g/mol. Its IUPAC name is [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)propanoate
PubChem CID39968538
Molecular FormulaC18H17F2N3O6
Molecular Weight409.35 g/mol
Exact Mass409.11
IUPAC Name[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)propanoate
SMILESC[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H17F2N3O6/c1-10(22-17(26)14-3-2-6-28-14)18(27)29-9-16(25)21-8-15(24)23-11-4-5-12(19)13(20)7-11/h2-7,10H,8-9H2,1H3,(H,21,25)(H,22,26)(H,23,24)/t10-/m1/s1
InChIKeyMDFDDIBOGJPITP-SNVBAGLBSA-N
XLogP0.97
TPSA126.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.35
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)propanoate 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-(4-methyl-3-nitroanilino)-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)propanoate
CID 2110544
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8847052
[2-(3,4-difluoroanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7909175
[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8738131
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 9007632
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate
CID 55401009
[2-(4-chloroanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575614
N-(3,4-difluorophenyl)-2-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide
CID 8549406
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] (2R)-2-(furan-2-carbonylamino)propanoate
CID 40834225
[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate
CID 55366879
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-propan-2-ylbenzoate
CID 9019884
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 7570965

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)propanoate?
The IUPAC name of [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)propanoate (CID 39968538) is [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)propanoate?
The canonical SMILES for [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)propanoate is C[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)propanoate?
The InChIKey is MDFDDIBOGJPITP-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H17F2N3O6/c1-10(22-17(26)14-3-2-6-28-14)18(27)29-9-16(25)21-8-15(24)23-11-4-5-12(19)13(20)7-11/h2-7,10H,8-9H2,1H3,(H,21,25)(H,22,26)(H,23,24)/t10-/m1/s1.
What are the key properties of [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)propanoate?
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)propanoate has a molecular weight of 409.35 g/mol, XLogP of 0.97, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 39968538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).