[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate

C18H18ClN3O6 — CID 9309933

IUPAC[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
SMILESC[C@@H](OC(=O)CNC(=O)CNC(=O)c1ccco1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H18ClN3O6/c1-11(17(25)22-13-6-3-2-5-12(13)19)28-16(24)10-20-15(23)9-21-18(26)14-7-4-8-27-14/h2-8,11H,9-10H2,1H3,(H,20,23)(H,21,26)(H,22,25)/t11-/m1/s1
InChIKeyRCNNBPGXTKOZEO-LLVKDONJSA-N
MW407.81 g/mol
LogP1.35
Rot. Bonds8

About [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate

[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate (PubChem CID 9309933) has the molecular formula C18H18ClN3O6 and a molecular weight of 407.81 g/mol. Its IUPAC name is [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate.

Molecular Properties

Compound Name[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
PubChem CID9309933
Molecular FormulaC18H18ClN3O6
Molecular Weight407.81 g/mol
Exact Mass407.09
IUPAC Name[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
SMILESC[C@@H](OC(=O)CNC(=O)CNC(=O)c1ccco1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H18ClN3O6/c1-11(17(25)22-13-6-3-2-5-12(13)19)28-16(24)10-20-15(23)9-21-18(26)14-7-4-8-27-14/h2-8,11H,9-10H2,1H3,(H,20,23)(H,21,26)(H,22,25)/t11-/m1/s1
InChIKeyRCNNBPGXTKOZEO-LLVKDONJSA-N
XLogP1.35
TPSA126.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.81
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate with MolForge

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Related Compounds

[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 7879875
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 7879966
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 8875512
[1-(4-tert-butylanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 46791748
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 42970594
[1-oxo-1-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 42979813
N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 44782479
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 8875399
[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
CID 7909110
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 7879838
[1-(3-nitroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 46791458
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
CID 55417653

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate?
The IUPAC name of [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate (CID 9309933) is [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate.
What is the SMILES notation for [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate?
The canonical SMILES for [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate is C[C@@H](OC(=O)CNC(=O)CNC(=O)c1ccco1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate?
The InChIKey is RCNNBPGXTKOZEO-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18ClN3O6/c1-11(17(25)22-13-6-3-2-5-12(13)19)28-16(24)10-20-15(23)9-21-18(26)14-7-4-8-27-14/h2-8,11H,9-10H2,1H3,(H,20,23)(H,21,26)(H,22,25)/t11-/m1/s1.
What are the key properties of [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate?
[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate has a molecular weight of 407.81 g/mol, XLogP of 1.35, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate is sourced from PubChem (CID 9309933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).