5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethoxyamino)ethyl]furan-2-carboxamide

C9H8BrF3N2O4 — CID 81434793

IUPAC5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethoxyamino)ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NOCC(F)(F)F
InChIInChI=1S/C9H8BrF3N2O4/c10-6-2-1-5(19-6)8(17)14-3-7(16)15-18-4-9(11,12)13/h1-2H,3-4H2,(H,14,17)(H,15,16)
InChIKeyMWYJDAFMNWDJGL-UHFFFAOYSA-N
MW345.07 g/mol
LogP1.38
Rot. Bonds5

About 5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethoxyamino)ethyl]furan-2-carboxamide

5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethoxyamino)ethyl]furan-2-carboxamide (PubChem CID 81434793) has the molecular formula C9H8BrF3N2O4 and a molecular weight of 345.07 g/mol. Its IUPAC name is 5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethoxyamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethoxyamino)ethyl]furan-2-carboxamide
PubChem CID81434793
Molecular FormulaC9H8BrF3N2O4
Molecular Weight345.07 g/mol
Exact Mass343.96
IUPAC Name5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethoxyamino)ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NOCC(F)(F)F
InChIInChI=1S/C9H8BrF3N2O4/c10-6-2-1-5(19-6)8(17)14-3-7(16)15-18-4-9(11,12)13/h1-2H,3-4H2,(H,14,17)(H,15,16)
InChIKeyMWYJDAFMNWDJGL-UHFFFAOYSA-N
XLogP1.38
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.07
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide
CID 10378007
3-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427115
3-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-3-methylbutanoic acid
CID 64672081
5-bromo-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 65309872
2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methylpropanoic acid
CID 61263565
benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899424
methyl 2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoate
CID 43406149
5-bromo-N-[2-(2-methylprop-2-enylamino)-2-oxoethyl]furan-2-carboxamide
CID 114618727
4-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 62042010
5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 7978577
5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide
CID 7964359
5-bromo-N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide
CID 42909926

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethoxyamino)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethoxyamino)ethyl]furan-2-carboxamide (CID 81434793) is 5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethoxyamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethoxyamino)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethoxyamino)ethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccc(Br)o1)NOCC(F)(F)F.
What is the InChIKey of 5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethoxyamino)ethyl]furan-2-carboxamide?
The InChIKey is MWYJDAFMNWDJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3N2O4/c10-6-2-1-5(19-6)8(17)14-3-7(16)15-18-4-9(11,12)13/h1-2H,3-4H2,(H,14,17)(H,15,16).
What are the key properties of 5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethoxyamino)ethyl]furan-2-carboxamide?
5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethoxyamino)ethyl]furan-2-carboxamide has a molecular weight of 345.07 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-oxo-2-(2,2,2-trifluoroethoxyamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 81434793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).