N-(4-bromo-2-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide

C15H11BrFNO2 — CID 49156312

IUPACN-(4-bromo-2-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccc2c(c1)COC2
InChIInChI=1S/C15H11BrFNO2/c16-12-3-4-14(13(17)6-12)18-15(19)9-1-2-10-7-20-8-11(10)5-9/h1-6H,7-8H2,(H,18,19)
InChIKeyZDFRCJTTWVHSBJ-UHFFFAOYSA-N
MW336.16 g/mol
LogP3.87
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide

N-(4-bromo-2-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 49156312) has the molecular formula C15H11BrFNO2 and a molecular weight of 336.16 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID49156312
Molecular FormulaC15H11BrFNO2
Molecular Weight336.16 g/mol
Exact Mass335.00
IUPAC NameN-(4-bromo-2-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1ccc2c(c1)COC2
InChIInChI=1S/C15H11BrFNO2/c16-12-3-4-14(13(17)6-12)18-15(19)9-1-2-10-7-20-8-11(10)5-9/h1-6H,7-8H2,(H,18,19)
InChIKeyZDFRCJTTWVHSBJ-UHFFFAOYSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.16
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997721
N-(5-amino-2,4-difluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732681
N-(2-cyano-4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 79954013
N-(4-bromo-2-fluorophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 17394634
N-(4-bromo-2-fluorophenyl)pyridazine-4-carboxamide
CID 112702158
2-amino-N-(4-bromo-2-fluorophenyl)pyridine-4-carboxamide
CID 62151121
N-(3-fluoro-4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 64782580
3-amino-N-(4-bromo-2-fluorophenyl)-4-(dimethylamino)benzamide
CID 61090837
N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532914
N-(4-bromo-2-fluorophenyl)-3,5-dinitrobenzamide
CID 4159361
N-(4-bromo-2-fluorophenyl)-4-fluoro-3-nitrobenzamide
CID 43215688
N-(4-bromo-2-fluorophenyl)-1H-indazole-6-carboxamide
CID 60716242

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide (CID 49156312) is N-(4-bromo-2-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide is O=C(Nc1ccc(Br)cc1F)c1ccc2c(c1)COC2.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is ZDFRCJTTWVHSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFNO2/c16-12-3-4-14(13(17)6-12)18-15(19)9-1-2-10-7-20-8-11(10)5-9/h1-6H,7-8H2,(H,18,19).
What are the key properties of N-(4-bromo-2-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
N-(4-bromo-2-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 336.16 g/mol, XLogP of 3.87, 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)-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 49156312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).