N-tert-butyl-7-fluoro-3-methyl-1-benzofuran-2-carboxamide

C14H16FNO2 — CID 9344598

IUPACN-tert-butyl-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC(C)(C)C)oc2c(F)cccc12
InChIInChI=1S/C14H16FNO2/c1-8-9-6-5-7-10(15)12(9)18-11(8)13(17)16-14(2,3)4/h5-7H,1-4H3,(H,16,17)
InChIKeyMMXJJNYEVMTGHI-UHFFFAOYSA-N
MW249.28 g/mol
LogP3.41
Rot. Bonds1

About N-tert-butyl-7-fluoro-3-methyl-1-benzofuran-2-carboxamide

N-tert-butyl-7-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 9344598) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is N-tert-butyl-7-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID9344598
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC NameN-tert-butyl-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC(C)(C)C)oc2c(F)cccc12
InChIInChI=1S/C14H16FNO2/c1-8-9-6-5-7-10(15)12(9)18-11(8)13(17)16-14(2,3)4/h5-7H,1-4H3,(H,16,17)
InChIKeyMMXJJNYEVMTGHI-UHFFFAOYSA-N
XLogP3.41
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 17459181
7-fluoro-N-(2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 46665379
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
N-(2-bromoprop-2-enyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 47439011
(2S)-3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 107832842
2-[2-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 8532125
7-fluoro-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 9442142
7-fluoro-3-methyl-N-(4-methylpiperazin-1-yl)-1-benzofuran-2-carboxamide
CID 9075061
7-fluoro-3-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide
CID 24655002
7-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methyl-1-benzofuran-2-carboxamide
CID 104927239
7-fluoro-3-methyl-N-(2-propan-2-ylphenyl)-1-benzofuran-2-carboxamide
CID 9344647

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-tert-butyl-7-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 9344598) is N-tert-butyl-7-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-tert-butyl-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-tert-butyl-7-fluoro-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC(C)(C)C)oc2c(F)cccc12.
What is the InChIKey of N-tert-butyl-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is MMXJJNYEVMTGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-8-9-6-5-7-10(15)12(9)18-11(8)13(17)16-14(2,3)4/h5-7H,1-4H3,(H,16,17).
What are the key properties of N-tert-butyl-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-tert-butyl-7-fluoro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 249.28 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-7-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9344598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).