7-fluoro-N-propyl-N-(2-pyrrolidin-1-ylethyl)-1-benzofuran-2-carboxamide

C18H23FN2O2 — CID 126801365

IUPAC7-fluoro-N-propyl-N-(2-pyrrolidin-1-ylethyl)-1-benzofuran-2-carboxamide
SMILESCCCN(CCN1CCCC1)C(=O)c1cc2cccc(F)c2o1
InChIInChI=1S/C18H23FN2O2/c1-2-8-21(12-11-20-9-3-4-10-20)18(22)16-13-14-6-5-7-15(19)17(14)23-16/h5-7,13H,2-4,8-12H2,1H3
InChIKeyHHVRKAVVNMQOQQ-UHFFFAOYSA-N
MW318.39 g/mol
LogP3.52
Rot. Bonds6

About 7-fluoro-N-propyl-N-(2-pyrrolidin-1-ylethyl)-1-benzofuran-2-carboxamide

7-fluoro-N-propyl-N-(2-pyrrolidin-1-ylethyl)-1-benzofuran-2-carboxamide (PubChem CID 126801365) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 7-fluoro-N-propyl-N-(2-pyrrolidin-1-ylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-propyl-N-(2-pyrrolidin-1-ylethyl)-1-benzofuran-2-carboxamide
PubChem CID126801365
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name7-fluoro-N-propyl-N-(2-pyrrolidin-1-ylethyl)-1-benzofuran-2-carboxamide
SMILESCCCN(CCN1CCCC1)C(=O)c1cc2cccc(F)c2o1
InChIInChI=1S/C18H23FN2O2/c1-2-8-21(12-11-20-9-3-4-10-20)18(22)16-13-14-6-5-7-15(19)17(14)23-16/h5-7,13H,2-4,8-12H2,1H3
InChIKeyHHVRKAVVNMQOQQ-UHFFFAOYSA-N
XLogP3.52
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-fluorophenyl)-3-methyl-N-propyl-N-(2-pyrrolidin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 166198929
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
(7-fluoro-1-benzofuran-2-yl)-(4-methylmorpholin-2-yl)methanone
CID 114725668
2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 114725353
(7-fluoro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone
CID 112614555
(3,5-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957454
2-amino-1-(7-fluoro-1-benzofuran-2-yl)butan-1-one
CID 114736846
7-fluoro-N-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
CID 111698284
2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 115809805
(2,2-dimethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 107187565
(3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957426
(7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanone
CID 114725192

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-propyl-N-(2-pyrrolidin-1-ylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-N-propyl-N-(2-pyrrolidin-1-ylethyl)-1-benzofuran-2-carboxamide (CID 126801365) is 7-fluoro-N-propyl-N-(2-pyrrolidin-1-ylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-propyl-N-(2-pyrrolidin-1-ylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-N-propyl-N-(2-pyrrolidin-1-ylethyl)-1-benzofuran-2-carboxamide is CCCN(CCN1CCCC1)C(=O)c1cc2cccc(F)c2o1.
What is the InChIKey of 7-fluoro-N-propyl-N-(2-pyrrolidin-1-ylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is HHVRKAVVNMQOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-2-8-21(12-11-20-9-3-4-10-20)18(22)16-13-14-6-5-7-15(19)17(14)23-16/h5-7,13H,2-4,8-12H2,1H3.
What are the key properties of 7-fluoro-N-propyl-N-(2-pyrrolidin-1-ylethyl)-1-benzofuran-2-carboxamide?
7-fluoro-N-propyl-N-(2-pyrrolidin-1-ylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 318.39 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-propyl-N-(2-pyrrolidin-1-ylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 126801365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).