5-chloro-N-[(2-hydroxycyclopentyl)methyl]-1-benzofuran-2-carboxamide

C15H16ClNO3 — CID 111464277

IUPAC5-chloro-N-[(2-hydroxycyclopentyl)methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCC1CCCC1O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H16ClNO3/c16-11-4-5-13-10(6-11)7-14(20-13)15(19)17-8-9-2-1-3-12(9)18/h4-7,9,12,18H,1-3,8H2,(H,17,19)
InChIKeyWUSKISTZVGHXON-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.98
Rot. Bonds3

About 5-chloro-N-[(2-hydroxycyclopentyl)methyl]-1-benzofuran-2-carboxamide

5-chloro-N-[(2-hydroxycyclopentyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 111464277) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 5-chloro-N-[(2-hydroxycyclopentyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2-hydroxycyclopentyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID111464277
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name5-chloro-N-[(2-hydroxycyclopentyl)methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCC1CCCC1O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C15H16ClNO3/c16-11-4-5-13-10(6-11)7-14(20-13)15(19)17-8-9-2-1-3-12(9)18/h4-7,9,12,18H,1-3,8H2,(H,17,19)
InChIKeyWUSKISTZVGHXON-UHFFFAOYSA-N
XLogP2.98
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 19240931
5-chloro-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-1-benzofuran-2-carboxamide
CID 155990029
5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide
CID 71662787
4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 13427946
5-chloro-N'-(cyclohexanecarbonyl)-1-benzofuran-2-carbohydrazide
CID 9327354
5-chloro-N-(3,5-dichlorophenyl)-1-benzofuran-2-carboxamide
CID 19240955
5-chloro-N-(3-piperidin-1-ylpropyl)-1-benzofuran-2-carboxamide
CID 58945427
N'-(2,4-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490962
5-chloro-N-piperidin-1-yl-1-benzofuran-2-carboxamide
CID 9272241
1-(5-chloro-1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanone
CID 114736387
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-1-benzofuran-2-carboxamide
CID 9036179
5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9269145

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-hydroxycyclopentyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2-hydroxycyclopentyl)methyl]-1-benzofuran-2-carboxamide (CID 111464277) is 5-chloro-N-[(2-hydroxycyclopentyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2-hydroxycyclopentyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2-hydroxycyclopentyl)methyl]-1-benzofuran-2-carboxamide is O=C(NCC1CCCC1O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-N-[(2-hydroxycyclopentyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is WUSKISTZVGHXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c16-11-4-5-13-10(6-11)7-14(20-13)15(19)17-8-9-2-1-3-12(9)18/h4-7,9,12,18H,1-3,8H2,(H,17,19).
What are the key properties of 5-chloro-N-[(2-hydroxycyclopentyl)methyl]-1-benzofuran-2-carboxamide?
5-chloro-N-[(2-hydroxycyclopentyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 293.75 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-hydroxycyclopentyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 111464277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).