N-(4-bromo-2-fluorophenyl)-2-methylfuran-3-carboxamide

C12H9BrFNO2 — CID 831630

IUPACN-(4-bromo-2-fluorophenyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C12H9BrFNO2/c1-7-9(4-5-17-7)12(16)15-11-3-2-8(13)6-10(11)14/h2-6H,1H3,(H,15,16)
InChIKeyPDARUEJJHMSXHN-UHFFFAOYSA-N
MW298.11 g/mol
LogP3.74
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-2-methylfuran-3-carboxamide

N-(4-bromo-2-fluorophenyl)-2-methylfuran-3-carboxamide (PubChem CID 831630) has the molecular formula C12H9BrFNO2 and a molecular weight of 298.11 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-methylfuran-3-carboxamide
PubChem CID831630
Molecular FormulaC12H9BrFNO2
Molecular Weight298.11 g/mol
Exact Mass296.98
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C12H9BrFNO2/c1-7-9(4-5-17-7)12(16)15-11-3-2-8(13)6-10(11)14/h2-6H,1H3,(H,15,16)
InChIKeyPDARUEJJHMSXHN-UHFFFAOYSA-N
XLogP3.74
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.11
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-methylfuran-3-carboxamide (CID 831630) is N-(4-bromo-2-fluorophenyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-methylfuran-3-carboxamide?
The InChIKey is PDARUEJJHMSXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO2/c1-7-9(4-5-17-7)12(16)15-11-3-2-8(13)6-10(11)14/h2-6H,1H3,(H,15,16).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-methylfuran-3-carboxamide?
N-(4-bromo-2-fluorophenyl)-2-methylfuran-3-carboxamide has a molecular weight of 298.11 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 831630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).