5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide

C17H20ClNO2 — CID 71662787

IUPAC5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide
SMILESO=C(NC1CCCCCCC1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C17H20ClNO2/c18-13-8-9-15-12(10-13)11-16(21-15)17(20)19-14-6-4-2-1-3-5-7-14/h8-11,14H,1-7H2,(H,19,20)
InChIKeySBTRSJXIVBEZNS-UHFFFAOYSA-N
MW305.80 g/mol
LogP4.93
Rot. Bonds2

About 5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide

5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide (PubChem CID 71662787) has the molecular formula C17H20ClNO2 and a molecular weight of 305.80 g/mol. Its IUPAC name is 5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide
PubChem CID71662787
Molecular FormulaC17H20ClNO2
Molecular Weight305.80 g/mol
Exact Mass305.12
IUPAC Name5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide
SMILESO=C(NC1CCCCCCC1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C17H20ClNO2/c18-13-8-9-15-12(10-13)11-16(21-15)17(20)19-14-6-4-2-1-3-5-7-14/h8-11,14H,1-7H2,(H,19,20)
InChIKeySBTRSJXIVBEZNS-UHFFFAOYSA-N
XLogP4.93
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.80
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 17015654
5-chloro-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-1-benzofuran-2-carboxamide
CID 155990029
5-chloro-N'-(cyclohexanecarbonyl)-1-benzofuran-2-carbohydrazide
CID 9327354
[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]piperidin-1-yl] 2,2,2-trifluoroacetate
CID 146506265
N-[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]cyclohexyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 175471553
7-chloro-N-cycloheptylfuro[2,3-b]quinoline-2-carboxamide
CID 3618281
N-(3-aminocyclopentyl)-5-chloro-1-benzofuran-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155069098
5-chloro-N-piperidin-1-yl-1-benzofuran-2-carboxamide
CID 9272241
7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methanone
CID 115808619
5-chloro-N-[(2-hydroxycyclopentyl)methyl]-1-benzofuran-2-carboxamide
CID 111464277
N-[4-[2-(5-chloro-1-benzofuran-2-yl)-2-oxoethyl]cyclohexyl]furo[2,3-c]pyridine-2-carboxamide
CID 149388857
5-chloro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 126773696

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide (CID 71662787) is 5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide is O=C(NC1CCCCCCC1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide?
The InChIKey is SBTRSJXIVBEZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c18-13-8-9-15-12(10-13)11-16(21-15)17(20)19-14-6-4-2-1-3-5-7-14/h8-11,14H,1-7H2,(H,19,20).
What are the key properties of 5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide?
5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide has a molecular weight of 305.80 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 71662787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).