(2-anilino-2-oxoethyl) furan-2-carboxylate

C13H11NO4 — CID 2352919

IUPAC(2-anilino-2-oxoethyl) furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)Nc1ccccc1
InChIInChI=1S/C13H11NO4/c15-12(14-10-5-2-1-3-6-10)9-18-13(16)11-7-4-8-17-11/h1-8H,9H2,(H,14,15)
InChIKeyPUEHEJCTSYCYMF-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.08
Rot. Bonds4

About (2-anilino-2-oxoethyl) furan-2-carboxylate

(2-anilino-2-oxoethyl) furan-2-carboxylate (PubChem CID 2352919) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) furan-2-carboxylate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) furan-2-carboxylate
PubChem CID2352919
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name(2-anilino-2-oxoethyl) furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)Nc1ccccc1
InChIInChI=1S/C13H11NO4/c15-12(14-10-5-2-1-3-6-10)9-18-13(16)11-7-4-8-17-11/h1-8H,9H2,(H,14,15)
InChIKeyPUEHEJCTSYCYMF-UHFFFAOYSA-N
XLogP2.08
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(3-phenoxyanilino)ethyl] furan-2-carboxylate
CID 2361312
[2-oxo-2-(4-sulfamoylanilino)ethyl] furan-2-carboxylate
CID 2389466
(2-anilino-2-oxoethyl) 2-(furan-2-carbonylamino)benzoate
CID 2392128
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] furan-2-carboxylate
CID 2354784
[2-(4-butylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2356450
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2631686
(2-benzamido-2-oxoethyl) furan-2-carboxylate
CID 7486704
[2-(4-butoxycarbonylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2631611
(2-anilino-2-oxoethyl) (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7565951
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] furan-2-carboxylate
CID 2715180
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] furan-2-carboxylate
CID 2715177
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2391025

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) furan-2-carboxylate?
The IUPAC name of (2-anilino-2-oxoethyl) furan-2-carboxylate (CID 2352919) is (2-anilino-2-oxoethyl) furan-2-carboxylate.
What is the SMILES notation for (2-anilino-2-oxoethyl) furan-2-carboxylate?
The canonical SMILES for (2-anilino-2-oxoethyl) furan-2-carboxylate is O=C(COC(=O)c1ccco1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) furan-2-carboxylate?
The InChIKey is PUEHEJCTSYCYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c15-12(14-10-5-2-1-3-6-10)9-18-13(16)11-7-4-8-17-11/h1-8H,9H2,(H,14,15).
What are the key properties of (2-anilino-2-oxoethyl) furan-2-carboxylate?
(2-anilino-2-oxoethyl) furan-2-carboxylate has a molecular weight of 245.23 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) furan-2-carboxylate is sourced from PubChem (CID 2352919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).