[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate

C16H15ClN2O5 — CID 7879966

IUPAC[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
SMILESC[C@@H](OC(=O)CNC(=O)c1ccco1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O5/c1-10(15(21)19-12-6-4-11(17)5-7-12)24-14(20)9-18-16(22)13-3-2-8-23-13/h2-8,10H,9H2,1H3,(H,18,22)(H,19,21)/t10-/m1/s1
InChIKeyAKEZWBMZOVZRNE-SNVBAGLBSA-N
MW350.76 g/mol
LogP2.23
Rot. Bonds6

About [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate

[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate (PubChem CID 7879966) has the molecular formula C16H15ClN2O5 and a molecular weight of 350.76 g/mol. Its IUPAC name is [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate.

Molecular Properties

Compound Name[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
PubChem CID7879966
Molecular FormulaC16H15ClN2O5
Molecular Weight350.76 g/mol
Exact Mass350.07
IUPAC Name[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
SMILESC[C@@H](OC(=O)CNC(=O)c1ccco1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O5/c1-10(15(21)19-12-6-4-11(17)5-7-12)24-14(20)9-18-16(22)13-3-2-8-23-13/h2-8,10H,9H2,1H3,(H,18,22)(H,19,21)/t10-/m1/s1
InChIKeyAKEZWBMZOVZRNE-SNVBAGLBSA-N
XLogP2.23
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-tert-butylanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 46791748
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 7879875
[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 9309933
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 42970594
[1-(3-nitroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 46791458
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
CID 7908958
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
CID 7908953
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877892
[1-oxo-1-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 42979813
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
CID 7909111
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884379
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885211

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate?
The IUPAC name of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate (CID 7879966) is [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate.
What is the SMILES notation for [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate?
The canonical SMILES for [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate is C[C@@H](OC(=O)CNC(=O)c1ccco1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate?
The InChIKey is AKEZWBMZOVZRNE-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15ClN2O5/c1-10(15(21)19-12-6-4-11(17)5-7-12)24-14(20)9-18-16(22)13-3-2-8-23-13/h2-8,10H,9H2,1H3,(H,18,22)(H,19,21)/t10-/m1/s1.
What are the key properties of [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate?
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate has a molecular weight of 350.76 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate is sourced from PubChem (CID 7879966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).