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

C14H12BrFN2O3 — CID 7478817

IUPAC5-bromo-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NCc1ccc(F)cc1
InChIInChI=1S/C14H12BrFN2O3/c15-12-6-5-11(21-12)14(20)18-8-13(19)17-7-9-1-3-10(16)4-2-9/h1-6H,7-8H2,(H,17,19)(H,18,20)
InChIKeyHGMRRPMPTHZPHJ-UHFFFAOYSA-N
MW355.16 g/mol
LogP2.23
Rot. Bonds5

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

5-bromo-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 7478817) has the molecular formula C14H12BrFN2O3 and a molecular weight of 355.16 g/mol. Its IUPAC name is 5-bromo-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
PubChem CID7478817
Molecular FormulaC14H12BrFN2O3
Molecular Weight355.16 g/mol
Exact Mass354.00
IUPAC Name5-bromo-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NCc1ccc(F)cc1
InChIInChI=1S/C14H12BrFN2O3/c15-12-6-5-11(21-12)14(20)18-8-13(19)17-7-9-1-3-10(16)4-2-9/h1-6H,7-8H2,(H,17,19)(H,18,20)
InChIKeyHGMRRPMPTHZPHJ-UHFFFAOYSA-N
XLogP2.23
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.16
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide (CID 7478817) is 5-bromo-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccc(Br)o1)NCc1ccc(F)cc1.
What is the InChIKey of 5-bromo-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is HGMRRPMPTHZPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O3/c15-12-6-5-11(21-12)14(20)18-8-13(19)17-7-9-1-3-10(16)4-2-9/h1-6H,7-8H2,(H,17,19)(H,18,20).
What are the key properties of 5-bromo-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 355.16 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 7478817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).