N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylfuran-3-carboxamide

C14H13BrFNO2 — CID 52571837

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylfuran-3-carboxamide
SMILESCc1occc1C(=O)N(C)Cc1cc(Br)ccc1F
InChIInChI=1S/C14H13BrFNO2/c1-9-12(5-6-19-9)14(18)17(2)8-10-7-11(15)3-4-13(10)16/h3-7H,8H2,1-2H3
InChIKeyBRMNMSPZNQAKKX-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.76
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylfuran-3-carboxamide

N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylfuran-3-carboxamide (PubChem CID 52571837) has the molecular formula C14H13BrFNO2 and a molecular weight of 326.17 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylfuran-3-carboxamide
PubChem CID52571837
Molecular FormulaC14H13BrFNO2
Molecular Weight326.17 g/mol
Exact Mass325.01
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylfuran-3-carboxamide
SMILESCc1occc1C(=O)N(C)Cc1cc(Br)ccc1F
InChIInChI=1S/C14H13BrFNO2/c1-9-12(5-6-19-9)14(18)17(2)8-10-7-11(15)3-4-13(10)16/h3-7H,8H2,1-2H3
InChIKeyBRMNMSPZNQAKKX-UHFFFAOYSA-N
XLogP3.76
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylfuran-3-carboxamide (CID 52571837) is N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylfuran-3-carboxamide is Cc1occc1C(=O)N(C)Cc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylfuran-3-carboxamide?
The InChIKey is BRMNMSPZNQAKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2/c1-9-12(5-6-19-9)14(18)17(2)8-10-7-11(15)3-4-13(10)16/h3-7H,8H2,1-2H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylfuran-3-carboxamide?
N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylfuran-3-carboxamide has a molecular weight of 326.17 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylfuran-3-carboxamide is sourced from PubChem (CID 52571837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).