5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide

C16H18FNO3 — CID 103774296

IUPAC5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CCCC2CO)oc2ccc(F)cc12
InChIInChI=1S/C16H18FNO3/c1-9-12-7-11(17)5-6-14(12)21-15(9)16(20)18-13-4-2-3-10(13)8-19/h5-7,10,13,19H,2-4,8H2,1H3,(H,18,20)
InChIKeyVKFYSEBWUYXKEM-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.77
Rot. Bonds3

About 5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide

5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 103774296) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is 5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID103774296
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CCCC2CO)oc2ccc(F)cc12
InChIInChI=1S/C16H18FNO3/c1-9-12-7-11(17)5-6-14(12)21-15(9)16(20)18-13-4-2-3-10(13)8-19/h5-7,10,13,19H,2-4,8H2,1H3,(H,18,20)
InChIKeyVKFYSEBWUYXKEM-UHFFFAOYSA-N
XLogP2.77
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
CID 103751185
N-[2-(aminomethyl)cyclohexyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 119610668
N-[2-[(dimethylamino)methyl]cyclohexyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 110279135
N-[2-(aminomethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
CID 119605138
5-fluoro-3-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide
CID 9344736
(5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957631
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 55428292
3-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzamide
CID 113254997
N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 18169026
N-[2-(hydroxymethyl)cyclopentyl]-5-methylfuran-2-carboxamide
CID 103759065
5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
CID 79675667
1-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81164307

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide (CID 103774296) is 5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC2CCCC2CO)oc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is VKFYSEBWUYXKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-9-12-7-11(17)5-6-14(12)21-15(9)16(20)18-13-4-2-3-10(13)8-19/h5-7,10,13,19H,2-4,8H2,1H3,(H,18,20).
What are the key properties of 5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide?
5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 291.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 103774296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).