(2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate

C20H16N2O5 — CID 2392128

IUPAC(2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NC(=O)c1ccco1)Nc1ccccc1
InChIInChI=1S/C20H16N2O5/c23-18(21-14-7-2-1-3-8-14)13-27-20(25)15-9-4-5-10-16(15)22-19(24)17-11-6-12-26-17/h1-12H,13H2,(H,21,23)(H,22,24)
InChIKeyONWNSKFWCNZVCO-UHFFFAOYSA-N
MW364.36 g/mol
LogP3.33
Rot. Bonds6

About (2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate

(2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate (PubChem CID 2392128) has the molecular formula C20H16N2O5 and a molecular weight of 364.36 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate
PubChem CID2392128
Molecular FormulaC20H16N2O5
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC Name(2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate
SMILESO=C(COC(=O)c1ccccc1NC(=O)c1ccco1)Nc1ccccc1
InChIInChI=1S/C20H16N2O5/c23-18(21-14-7-2-1-3-8-14)13-27-20(25)15-9-4-5-10-16(15)22-19(24)17-11-6-12-26-17/h1-12H,13H2,(H,21,23)(H,22,24)
InChIKeyONWNSKFWCNZVCO-UHFFFAOYSA-N
XLogP3.33
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 18776833
methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
CID 2601270
(2-anilino-2-oxoethyl) furan-2-carboxylate
CID 2352919
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 2652525
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(furan-2-carbonylamino)benzoate
CID 2601161
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 2600751
(2-anilino-2-oxoethyl) 2-(furan-2-ylmethylamino)benzoate
CID 2613781
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(furan-2-carbonylamino)benzoate
CID 2116610
[2-(1-adamantyl)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 7440293
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 7440371
(2-anilino-2-oxoethyl) (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7565951
[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 9139731

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate (CID 2392128) is (2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate is O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate?
The InChIKey is ONWNSKFWCNZVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5/c23-18(21-14-7-2-1-3-8-14)13-27-20(25)15-9-4-5-10-16(15)22-19(24)17-11-6-12-26-17/h1-12H,13H2,(H,21,23)(H,22,24).
What are the key properties of (2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate?
(2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate has a molecular weight of 364.36 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 2392128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).