8-chloro-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)dibenzofuran-2-carboxamide

C24H24ClNO3 — CID 71053776

IUPAC8-chloro-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)dibenzofuran-2-carboxamide
SMILESO=C(NC1CCC2CC3CC(O)(C2)CC31)c1ccc2oc3ccc(Cl)cc3c2c1
InChIInChI=1S/C24H24ClNO3/c25-16-3-6-22-18(9-16)17-8-14(2-5-21(17)29-22)23(27)26-20-4-1-13-7-15-11-24(28,10-13)12-19(15)20/h2-3,5-6,8-9,13,15,19-20,28H,1,4,7,10-12H2,(H,26,27)
InChIKeyWFZRYHFGGSBZOP-UHFFFAOYSA-N
MW409.91 g/mol
LogP5.30
Rot. Bonds2

About 8-chloro-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)dibenzofuran-2-carboxamide

8-chloro-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)dibenzofuran-2-carboxamide (PubChem CID 71053776) has the molecular formula C24H24ClNO3 and a molecular weight of 409.91 g/mol. Its IUPAC name is 8-chloro-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)dibenzofuran-2-carboxamide.

Molecular Properties

Compound Name8-chloro-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)dibenzofuran-2-carboxamide
PubChem CID71053776
Molecular FormulaC24H24ClNO3
Molecular Weight409.91 g/mol
Exact Mass409.14
IUPAC Name8-chloro-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)dibenzofuran-2-carboxamide
SMILESO=C(NC1CCC2CC3CC(O)(C2)CC31)c1ccc2oc3ccc(Cl)cc3c2c1
InChIInChI=1S/C24H24ClNO3/c25-16-3-6-22-18(9-16)17-8-14(2-5-21(17)29-22)23(27)26-20-4-1-13-7-15-11-24(28,10-13)12-19(15)20/h2-3,5-6,8-9,13,15,19-20,28H,1,4,7,10-12H2,(H,26,27)
InChIKeyWFZRYHFGGSBZOP-UHFFFAOYSA-N
XLogP5.30
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.91
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[(1S,4S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]-9H-carbazole-3-carboxamide
CID 71053824
3-[(5-chloro-2-pyridinyl)oxy]-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)benzamide
CID 70890788
(1-carbamoyl-5-hydroxy-2-adamantyl) 8-chlorodibenzofuran-2-carboxylate
CID 91518196
N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-4-(methylsulfonylmethoxy)benzamide
CID 71068876
N-[1-(hydroxymethyl)-4-tricyclo[5.3.1.03,9]undecanyl]-3-phenoxybenzamide
CID 71070702
1-(benzenesulfonyl)-N-[(7S,9S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide
CID 71146847
5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
CID 103751185
N-(2-bicyclo[2.2.1]heptanyl)-4-bromo-3-chlorobenzamide
CID 81306954
1-tert-butyl-N-[(1S,4S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]-5-pyrazol-1-ylpyrazole-4-carboxamide
CID 71166526
N-[2-(aminomethyl)cyclohexyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 119610668
N-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzamide
CID 133178541
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-chloro-4-methylbenzamide
CID 155912978

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)dibenzofuran-2-carboxamide?
The IUPAC name of 8-chloro-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)dibenzofuran-2-carboxamide (CID 71053776) is 8-chloro-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)dibenzofuran-2-carboxamide.
What is the SMILES notation for 8-chloro-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)dibenzofuran-2-carboxamide?
The canonical SMILES for 8-chloro-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)dibenzofuran-2-carboxamide is O=C(NC1CCC2CC3CC(O)(C2)CC31)c1ccc2oc3ccc(Cl)cc3c2c1.
What is the InChIKey of 8-chloro-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)dibenzofuran-2-carboxamide?
The InChIKey is WFZRYHFGGSBZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO3/c25-16-3-6-22-18(9-16)17-8-14(2-5-21(17)29-22)23(27)26-20-4-1-13-7-15-11-24(28,10-13)12-19(15)20/h2-3,5-6,8-9,13,15,19-20,28H,1,4,7,10-12H2,(H,26,27).
What are the key properties of 8-chloro-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)dibenzofuran-2-carboxamide?
8-chloro-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)dibenzofuran-2-carboxamide has a molecular weight of 409.91 g/mol, XLogP of 5.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)dibenzofuran-2-carboxamide is sourced from PubChem (CID 71053776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).