[2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate

C16H13BrN2O6 — CID 24557824

IUPAC[2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1cccc(Br)c1)NC(=O)c1ccco1
InChIInChI=1S/C16H13BrN2O6/c17-11-4-1-3-10(7-11)15(22)18-8-14(21)25-9-13(20)19-16(23)12-5-2-6-24-12/h1-7H,8-9H2,(H,18,22)(H,19,20,23)
InChIKeyJWELKHHJNLLKBF-UHFFFAOYSA-N
MW409.19 g/mol
LogP1.27
Rot. Bonds6

About [2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate

[2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate (PubChem CID 24557824) has the molecular formula C16H13BrN2O6 and a molecular weight of 409.19 g/mol. Its IUPAC name is [2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
PubChem CID24557824
Molecular FormulaC16H13BrN2O6
Molecular Weight409.19 g/mol
Exact Mass408.00
IUPAC Name[2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1cccc(Br)c1)NC(=O)c1ccco1
InChIInChI=1S/C16H13BrN2O6/c17-11-4-1-3-10(7-11)15(22)18-8-14(21)25-9-13(20)19-16(23)12-5-2-6-24-12/h1-7H,8-9H2,(H,18,22)(H,19,20,23)
InChIKeyJWELKHHJNLLKBF-UHFFFAOYSA-N
XLogP1.27
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.19
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2-benzamido-2-oxoethyl) 2-(furan-2-carbonylamino)acetate
CID 7879888
(3-carbamoylphenyl)methyl 2-[(3-bromobenzoyl)amino]acetate
CID 55634531
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 27916949
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 35651185
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884691
[2-(3-chloroanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 8871080
(2-oxo-2-piperidin-1-ylethyl) 2-[(3-bromobenzoyl)amino]acetate
CID 35661902
[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 31667006
[2-(furan-2-carbonylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 24557874
3-bromo-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide
CID 51220288
[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 35651131
[2-(2-fluoroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880328

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate?
The IUPAC name of [2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate (CID 24557824) is [2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate.
What is the SMILES notation for [2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate?
The canonical SMILES for [2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1cccc(Br)c1)NC(=O)c1ccco1.
What is the InChIKey of [2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate?
The InChIKey is JWELKHHJNLLKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O6/c17-11-4-1-3-10(7-11)15(22)18-8-14(21)25-9-13(20)19-16(23)12-5-2-6-24-12/h1-7H,8-9H2,(H,18,22)(H,19,20,23).
What are the key properties of [2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate?
[2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate has a molecular weight of 409.19 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-carbonylamino)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate is sourced from PubChem (CID 24557824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).