6-chloro-N-[(1S,4S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]-9H-carbazole-3-carboxamide

C24H25ClN2O2 — CID 71053824

IUPAC6-chloro-N-[(1S,4S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]-9H-carbazole-3-carboxamide
SMILESO=C(N[C@H]1CCC2CC3C[C@@](O)(C2)CC31)c1ccc2[nH]c3ccc(Cl)cc3c2c1
InChIInChI=1S/C24H25ClN2O2/c25-16-3-6-21-18(9-16)17-8-14(2-5-20(17)26-21)23(28)27-22-4-1-13-7-15-11-24(29,10-13)12-19(15)22/h2-3,5-6,8-9,13,15,19,22,26,29H,1,4,7,10-12H2,(H,27,28)/t13?,15?,19?,22-,24-/m0/s1
InChIKeyOXQWAHXBDLIXNT-HMDROAPVSA-N
MW408.93 g/mol
LogP5.03
Rot. Bonds2

About 6-chloro-N-[(1S,4S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]-9H-carbazole-3-carboxamide

6-chloro-N-[(1S,4S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]-9H-carbazole-3-carboxamide (PubChem CID 71053824) has the molecular formula C24H25ClN2O2 and a molecular weight of 408.93 g/mol. Its IUPAC name is 6-chloro-N-[(1S,4S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]-9H-carbazole-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(1S,4S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]-9H-carbazole-3-carboxamide
PubChem CID71053824
Molecular FormulaC24H25ClN2O2
Molecular Weight408.93 g/mol
Exact Mass408.16
IUPAC Name6-chloro-N-[(1S,4S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]-9H-carbazole-3-carboxamide
SMILESO=C(N[C@H]1CCC2CC3C[C@@](O)(C2)CC31)c1ccc2[nH]c3ccc(Cl)cc3c2c1
InChIInChI=1S/C24H25ClN2O2/c25-16-3-6-21-18(9-16)17-8-14(2-5-20(17)26-21)23(28)27-22-4-1-13-7-15-11-24(29,10-13)12-19(15)22/h2-3,5-6,8-9,13,15,19,22,26,29H,1,4,7,10-12H2,(H,27,28)/t13?,15?,19?,22-,24-/m0/s1
InChIKeyOXQWAHXBDLIXNT-HMDROAPVSA-N
XLogP5.03
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.93
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1S,4S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]-9H-carbazole-3-carboxamide?
The IUPAC name of 6-chloro-N-[(1S,4S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]-9H-carbazole-3-carboxamide (CID 71053824) is 6-chloro-N-[(1S,4S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]-9H-carbazole-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(1S,4S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]-9H-carbazole-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(1S,4S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]-9H-carbazole-3-carboxamide is O=C(N[C@H]1CCC2CC3C[C@@](O)(C2)CC31)c1ccc2[nH]c3ccc(Cl)cc3c2c1.
What is the InChIKey of 6-chloro-N-[(1S,4S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]-9H-carbazole-3-carboxamide?
The InChIKey is OXQWAHXBDLIXNT-HMDROAPVSA-N. The full InChI is InChI=1S/C24H25ClN2O2/c25-16-3-6-21-18(9-16)17-8-14(2-5-20(17)26-21)23(28)27-22-4-1-13-7-15-11-24(29,10-13)12-19(15)22/h2-3,5-6,8-9,13,15,19,22,26,29H,1,4,7,10-12H2,(H,27,28)/t13?,15?,19?,22-,24-/m0/s1.
What are the key properties of 6-chloro-N-[(1S,4S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]-9H-carbazole-3-carboxamide?
6-chloro-N-[(1S,4S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]-9H-carbazole-3-carboxamide has a molecular weight of 408.93 g/mol, XLogP of 5.03, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1S,4S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]-9H-carbazole-3-carboxamide is sourced from PubChem (CID 71053824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).