2-(2,5-dioxoimidazolidin-4-yl)-6-fluoro-N-pentyl-1-benzofuran-5-carboxamide

C17H18FN3O4 — CID 143989695

IUPAC2-(2,5-dioxoimidazolidin-4-yl)-6-fluoro-N-pentyl-1-benzofuran-5-carboxamide
SMILESCCCCCNC(=O)c1cc2cc(C3NC(=O)NC3=O)oc2cc1F
InChIInChI=1S/C17H18FN3O4/c1-2-3-4-5-19-15(22)10-6-9-7-13(25-12(9)8-11(10)18)14-16(23)21-17(24)20-14/h6-8,14H,2-5H2,1H3,(H,19,22)(H2,20,21,23,24)
InChIKeyIBSICANJGCCKDQ-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.37
Rot. Bonds6

About 2-(2,5-dioxoimidazolidin-4-yl)-6-fluoro-N-pentyl-1-benzofuran-5-carboxamide

2-(2,5-dioxoimidazolidin-4-yl)-6-fluoro-N-pentyl-1-benzofuran-5-carboxamide (PubChem CID 143989695) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-4-yl)-6-fluoro-N-pentyl-1-benzofuran-5-carboxamide.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-4-yl)-6-fluoro-N-pentyl-1-benzofuran-5-carboxamide
PubChem CID143989695
Molecular FormulaC17H18FN3O4
Molecular Weight347.35 g/mol
Exact Mass347.13
IUPAC Name2-(2,5-dioxoimidazolidin-4-yl)-6-fluoro-N-pentyl-1-benzofuran-5-carboxamide
SMILESCCCCCNC(=O)c1cc2cc(C3NC(=O)NC3=O)oc2cc1F
InChIInChI=1S/C17H18FN3O4/c1-2-3-4-5-19-15(22)10-6-9-7-13(25-12(9)8-11(10)18)14-16(23)21-17(24)20-14/h6-8,14H,2-5H2,1H3,(H,19,22)(H2,20,21,23,24)
InChIKeyIBSICANJGCCKDQ-UHFFFAOYSA-N
XLogP2.37
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5-amino-2,4-difluoro-N-hexylbenzamide
CID 61113245
5-chloro-2-fluoro-N-octylbenzamide
CID 113337139
2,5-difluoro-N-undecylbenzamide
CID 91717430
2-fluoro-4-methyl-N-pentylbenzamide
CID 79770349
2,3-difluoro-N-pentylbenzamide
CID 62649821
2-fluoro-N-hexyl-5-sulfanylbenzamide
CID 107030493
5-amino-2-fluoro-N-hexylbenzamide
CID 61113619
2,4,5-trifluoro-N-heptyl-3-methoxybenzamide
CID 91730409
4-fluoro-N-pentylnaphthalene-1-carboxamide
CID 114088205
5-acetamido-2-fluoro-N-nonylbenzamide
CID 60568638
4-bromo-2,5-difluoro-N-propylbenzamide
CID 146035179
5-amino-N-butyl-2-fluorobenzamide
CID 43510823

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxoimidazolidin-4-yl)-6-fluoro-N-pentyl-1-benzofuran-5-carboxamide?
The IUPAC name of 2-(2,5-dioxoimidazolidin-4-yl)-6-fluoro-N-pentyl-1-benzofuran-5-carboxamide (CID 143989695) is 2-(2,5-dioxoimidazolidin-4-yl)-6-fluoro-N-pentyl-1-benzofuran-5-carboxamide.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-4-yl)-6-fluoro-N-pentyl-1-benzofuran-5-carboxamide?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-4-yl)-6-fluoro-N-pentyl-1-benzofuran-5-carboxamide is CCCCCNC(=O)c1cc2cc(C3NC(=O)NC3=O)oc2cc1F.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-4-yl)-6-fluoro-N-pentyl-1-benzofuran-5-carboxamide?
The InChIKey is IBSICANJGCCKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4/c1-2-3-4-5-19-15(22)10-6-9-7-13(25-12(9)8-11(10)18)14-16(23)21-17(24)20-14/h6-8,14H,2-5H2,1H3,(H,19,22)(H2,20,21,23,24).
What are the key properties of 2-(2,5-dioxoimidazolidin-4-yl)-6-fluoro-N-pentyl-1-benzofuran-5-carboxamide?
2-(2,5-dioxoimidazolidin-4-yl)-6-fluoro-N-pentyl-1-benzofuran-5-carboxamide has a molecular weight of 347.35 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-4-yl)-6-fluoro-N-pentyl-1-benzofuran-5-carboxamide is sourced from PubChem (CID 143989695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).