5-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide

C15H14BrFN2O3 — CID 7478792

IUPAC5-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NCCc1ccc(F)cc1
InChIInChI=1S/C15H14BrFN2O3/c16-13-6-5-12(22-13)15(21)19-9-14(20)18-8-7-10-1-3-11(17)4-2-10/h1-6H,7-9H2,(H,18,20)(H,19,21)
InChIKeyTXVJIYQSRUWDSY-UHFFFAOYSA-N
MW369.19 g/mol
LogP2.27
Rot. Bonds6

About 5-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 7478792) has the molecular formula C15H14BrFN2O3 and a molecular weight of 369.19 g/mol. Its IUPAC name is 5-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide
PubChem CID7478792
Molecular FormulaC15H14BrFN2O3
Molecular Weight369.19 g/mol
Exact Mass368.02
IUPAC Name5-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NCCc1ccc(F)cc1
InChIInChI=1S/C15H14BrFN2O3/c16-13-6-5-12(22-13)15(21)19-9-14(20)18-8-7-10-1-3-11(17)4-2-10/h1-6H,7-9H2,(H,18,20)(H,19,21)
InChIKeyTXVJIYQSRUWDSY-UHFFFAOYSA-N
XLogP2.27
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.19
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 347531
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CID 809128
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CID 673585
2-bromo-N-(furan-2-ylmethyl)benzamide
CID 721318
5-bromo-N-[(2-chlorophenyl)methyl]furan-2-carboxamide
CID 888361
5-bromo-N-[2-phenyl-1-(1-piperidinylcarbonyl)vinyl]-2-furamide
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5-Bromo-N~2~-[2-(4-methylpiperidino)-2-oxoethyl]-2-furamide
CID 2574277
5-bromo-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 2668570
5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-2-furancarboxamide
CID 2971387
5-bromo-N-{2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}-2-furamide
CID 2977240
5-Bromo-N-(2-oxo-2-(pyrrolidin-1-yl)ethyl)furan-2-carboxamide
CID 2977895
Cambridge id 6884896
CID 3979269

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide (CID 7478792) is 5-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccc(Br)o1)NCCc1ccc(F)cc1.
What is the InChIKey of 5-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is TXVJIYQSRUWDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O3/c16-13-6-5-12(22-13)15(21)19-9-14(20)18-8-7-10-1-3-11(17)4-2-10/h1-6H,7-9H2,(H,18,20)(H,19,21).
What are the key properties of 5-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 369.19 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 7478792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).