7-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide

C15H16FNO3 — CID 115877896

IUPAC7-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2(CO)CCC2)oc2c(F)cccc12
InChIInChI=1S/C15H16FNO3/c1-9-10-4-2-5-11(16)13(10)20-12(9)14(19)17-15(8-18)6-3-7-15/h2,4-5,18H,3,6-8H2,1H3,(H,17,19)
InChIKeyMTJLFJXHQGCTHA-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.53
Rot. Bonds3

About 7-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide

7-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 115877896) has the molecular formula C15H16FNO3 and a molecular weight of 277.29 g/mol. Its IUPAC name is 7-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID115877896
Molecular FormulaC15H16FNO3
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Name7-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2(CO)CCC2)oc2c(F)cccc12
InChIInChI=1S/C15H16FNO3/c1-9-10-4-2-5-11(16)13(10)20-12(9)14(19)17-15(8-18)6-3-7-15/h2,4-5,18H,3,6-8H2,1H3,(H,17,19)
InChIKeyMTJLFJXHQGCTHA-UHFFFAOYSA-N
XLogP2.53
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide
CID 115878297
7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 17459181
(2S)-3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 107832842
7-fluoro-3-methyl-N-[(3-methyloxetan-3-yl)methyl]-1-benzofuran-2-carboxamide
CID 78956970
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-[(1R,2R)-2-hydroxycyclohexyl]-3-methyl-1-benzofuran-2-carboxamide
CID 104927239
2-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid
CID 43241826
1-[(3,7-dimethyl-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119176798
N-(2-bromoprop-2-enyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 47439011
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

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide (CID 115877896) is 7-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC2(CO)CCC2)oc2c(F)cccc12.
What is the InChIKey of 7-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is MTJLFJXHQGCTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-9-10-4-2-5-11(16)13(10)20-12(9)14(19)17-15(8-18)6-3-7-15/h2,4-5,18H,3,6-8H2,1H3,(H,17,19).
What are the key properties of 7-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide?
7-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 277.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 115877896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).