[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate

C16H14Cl2N2O5 — CID 7879875

IUPAC[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
SMILESC[C@@H](OC(=O)CNC(=O)c1ccco1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl2N2O5/c1-9(15(22)20-12-7-10(17)4-5-11(12)18)25-14(21)8-19-16(23)13-3-2-6-24-13/h2-7,9H,8H2,1H3,(H,19,23)(H,20,22)/t9-/m1/s1
InChIKeyPDYSAXFLZDGCGV-SECBINFHSA-N
MW385.20 g/mol
LogP2.89
Rot. Bonds6

About [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate

[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate (PubChem CID 7879875) has the molecular formula C16H14Cl2N2O5 and a molecular weight of 385.20 g/mol. Its IUPAC name is [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate.

Molecular Properties

Compound Name[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
PubChem CID7879875
Molecular FormulaC16H14Cl2N2O5
Molecular Weight385.20 g/mol
Exact Mass384.03
IUPAC Name[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
SMILESC[C@@H](OC(=O)CNC(=O)c1ccco1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl2N2O5/c1-9(15(22)20-12-7-10(17)4-5-11(12)18)25-14(21)8-19-16(23)13-3-2-6-24-13/h2-7,9H,8H2,1H3,(H,19,23)(H,20,22)/t9-/m1/s1
InChIKeyPDYSAXFLZDGCGV-SECBINFHSA-N
XLogP2.89
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.20
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 7879966
[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 9309933
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 42968944
[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363834
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-[(2-methylbenzoyl)amino]acetate
CID 18208940
[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
[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 3,3-dimethylbutanoate
CID 7950785
[1-oxo-1-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 42979813
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] furan-2-carboxylate
CID 2386762
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
CID 7908953
[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 4-methylpentanoate
CID 7848170

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate?
The IUPAC name of [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate (CID 7879875) is [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate.
What is the SMILES notation for [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate?
The canonical SMILES for [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate is C[C@@H](OC(=O)CNC(=O)c1ccco1)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate?
The InChIKey is PDYSAXFLZDGCGV-SECBINFHSA-N. The full InChI is InChI=1S/C16H14Cl2N2O5/c1-9(15(22)20-12-7-10(17)4-5-11(12)18)25-14(21)8-19-16(23)13-3-2-6-24-13/h2-7,9H,8H2,1H3,(H,19,23)(H,20,22)/t9-/m1/s1.
What are the key properties of [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate?
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate has a molecular weight of 385.20 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate is sourced from PubChem (CID 7879875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).