5-bromo-N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide

C16H10BrF2NO2 — CID 2122006

IUPAC5-bromo-N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2F)oc2ccc(Br)cc12
InChIInChI=1S/C16H10BrF2NO2/c1-8-11-6-9(17)2-5-14(11)22-15(8)16(21)20-13-4-3-10(18)7-12(13)19/h2-7H,1H3,(H,20,21)
InChIKeyLJHMFBCCHOMZMN-UHFFFAOYSA-N
MW366.16 g/mol
LogP5.03
Rot. Bonds2

About 5-bromo-N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide

5-bromo-N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 2122006) has the molecular formula C16H10BrF2NO2 and a molecular weight of 366.16 g/mol. Its IUPAC name is 5-bromo-N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID2122006
Molecular FormulaC16H10BrF2NO2
Molecular Weight366.16 g/mol
Exact Mass364.99
IUPAC Name5-bromo-N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2F)oc2ccc(Br)cc12
InChIInChI=1S/C16H10BrF2NO2/c1-8-11-6-9(17)2-5-14(11)22-15(8)16(21)20-13-4-3-10(18)7-12(13)19/h2-7H,1H3,(H,20,21)
InChIKeyLJHMFBCCHOMZMN-UHFFFAOYSA-N
XLogP5.03
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.16
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide (CID 2122006) is 5-bromo-N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(F)cc2F)oc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is LJHMFBCCHOMZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF2NO2/c1-8-11-6-9(17)2-5-14(11)22-15(8)16(21)20-13-4-3-10(18)7-12(13)19/h2-7H,1H3,(H,20,21).
What are the key properties of 5-bromo-N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide?
5-bromo-N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 366.16 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2122006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).