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

C13H14FNO3 — CID 43393388

IUPAC7-fluoro-N-(2-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCC(C)O)oc2c(F)cccc12
InChIInChI=1S/C13H14FNO3/c1-7(16)6-15-13(17)11-8(2)9-4-3-5-10(14)12(9)18-11/h3-5,7,16H,6H2,1-2H3,(H,15,17)
InChIKeyJSFUPEBGBCEQHJ-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.99
Rot. Bonds3

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

7-fluoro-N-(2-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 43393388) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 7-fluoro-N-(2-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(2-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID43393388
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name7-fluoro-N-(2-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCC(C)O)oc2c(F)cccc12
InChIInChI=1S/C13H14FNO3/c1-7(16)6-15-13(17)11-8(2)9-4-3-5-10(14)12(9)18-11/h3-5,7,16H,6H2,1-2H3,(H,15,17)
InChIKeyJSFUPEBGBCEQHJ-UHFFFAOYSA-N
XLogP1.99
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 107832842
N-(2-ethylbutyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 115612802
7-fluoro-N-(4-hydroxy-2-methylbutyl)-3-methyl-1-benzofuran-2-carboxamide
CID 66106213
7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 17459181
N-(2-bromoprop-2-enyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 47439011
7-fluoro-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 9442142
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
2-[2-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 8532125
7-fluoro-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8832763
N-[(2S)-2-hydroxypropyl]-6,7-dimethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 744548
N-ethyl-7-fluoro-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
CID 123307514

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(2-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-N-(2-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide (CID 43393388) is 7-fluoro-N-(2-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-(2-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-N-(2-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCC(C)O)oc2c(F)cccc12.
What is the InChIKey of 7-fluoro-N-(2-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is JSFUPEBGBCEQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c1-7(16)6-15-13(17)11-8(2)9-4-3-5-10(14)12(9)18-11/h3-5,7,16H,6H2,1-2H3,(H,15,17).
What are the key properties of 7-fluoro-N-(2-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide?
7-fluoro-N-(2-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 251.26 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(2-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 43393388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).