N-(4-bromo-2-fluorophenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

C16H10BrF2NO2 — CID 9344702

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

About N-(4-bromo-2-fluorophenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

N-(4-bromo-2-fluorophenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 9344702) has the molecular formula C16H10BrF2NO2 and a molecular weight of 366.16 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID9344702
Molecular FormulaC16H10BrF2NO2
Molecular Weight366.16 g/mol
Exact Mass364.99
IUPAC NameN-(4-bromo-2-fluorophenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Br)cc2F)oc2ccc(F)cc12
InChIInChI=1S/C16H10BrF2NO2/c1-8-11-7-10(18)3-5-14(11)22-15(8)16(21)20-13-4-2-9(17)6-12(13)19/h2-7H,1H3,(H,20,21)
InChIKeyXRSDRDHLCSVURH-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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Related Compounds

N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7770031
N-(4-bromo-2-fluorophenyl)-5-(diethylsulfamoyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4246541
N-(4-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344604
N-(5-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344840
5-bromo-3-methyl-N-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 35181529
methyl 4-[(5-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]-3-methylbenzoate
CID 36930678
5-bromo-N-[(5-fluoro-2-methylphenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 118984853
N-(2-ethylsulfonylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 55613510
N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344827
5-bromo-N-(5-chloro-2-phenoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4543107
N-(4-acetylphenyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 2115784
5-fluoro-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide
CID 78928012

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 9344702) is N-(4-bromo-2-fluorophenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(Br)cc2F)oc2ccc(F)cc12.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is XRSDRDHLCSVURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF2NO2/c1-8-11-7-10(18)3-5-14(11)22-15(8)16(21)20-13-4-2-9(17)6-12(13)19/h2-7H,1H3,(H,20,21).
What are the key properties of N-(4-bromo-2-fluorophenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-(4-bromo-2-fluorophenyl)-5-fluoro-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 N-(4-bromo-2-fluorophenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9344702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).