N-(2-bromoprop-2-enyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide

C13H11BrFNO2 — CID 47439011

IUPACN-(2-bromoprop-2-enyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESC=C(Br)CNC(=O)c1oc2c(F)cccc2c1C
InChIInChI=1S/C13H11BrFNO2/c1-7(14)6-16-13(17)11-8(2)9-4-3-5-10(15)12(9)18-11/h3-5H,1,6H2,2H3,(H,16,17)
InChIKeySICWYQFVBQNCQP-UHFFFAOYSA-N
MW312.14 g/mol
LogP3.52
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide

N-(2-bromoprop-2-enyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 47439011) has the molecular formula C13H11BrFNO2 and a molecular weight of 312.14 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID47439011
Molecular FormulaC13H11BrFNO2
Molecular Weight312.14 g/mol
Exact Mass311.00
IUPAC NameN-(2-bromoprop-2-enyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESC=C(Br)CNC(=O)c1oc2c(F)cccc2c1C
InChIInChI=1S/C13H11BrFNO2/c1-7(14)6-16-13(17)11-8(2)9-4-3-5-10(15)12(9)18-11/h3-5H,1,6H2,2H3,(H,16,17)
InChIKeySICWYQFVBQNCQP-UHFFFAOYSA-N
XLogP3.52
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-N-(2-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide
CID 43393388
N-(2-ethylbutyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 115612802
7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 17459181
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 30969347
(2S)-3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 107832842
7-fluoro-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 9442142
7-fluoro-N-(4-hydroxy-2-methylbutyl)-3-methyl-1-benzofuran-2-carboxamide
CID 66106213
N-tert-butyl-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344598
7-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-benzofuran-2-carboxamide
CID 78956970
7-fluoro-N-(2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 46665379
7-fluoro-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8832763
N-(1,3-benzodioxol-5-ylmethyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 8869046

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 47439011) is N-(2-bromoprop-2-enyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide is C=C(Br)CNC(=O)c1oc2c(F)cccc2c1C.
What is the InChIKey of N-(2-bromoprop-2-enyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is SICWYQFVBQNCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2/c1-7(14)6-16-13(17)11-8(2)9-4-3-5-10(15)12(9)18-11/h3-5H,1,6H2,2H3,(H,16,17).
What are the key properties of N-(2-bromoprop-2-enyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-(2-bromoprop-2-enyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 312.14 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 47439011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).