N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-phenyloxane-4-carboxamide

C24H25ClN2O2 — CID 75489035

IUPACN-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-phenyloxane-4-carboxamide
SMILESO=C(NC1CCCc2c1[nH]c1c(Cl)cccc21)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C24H25ClN2O2/c25-19-10-4-8-17-18-9-5-11-20(22(18)27-21(17)19)26-23(28)24(12-14-29-15-13-24)16-6-2-1-3-7-16/h1-4,6-8,10,20,27H,5,9,11-15H2,(H,26,28)
InChIKeyWGJPPDKUBQTVBM-UHFFFAOYSA-N
MW408.93 g/mol
LogP5.06
Rot. Bonds3

About N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-phenyloxane-4-carboxamide

N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-phenyloxane-4-carboxamide (PubChem CID 75489035) has the molecular formula C24H25ClN2O2 and a molecular weight of 408.93 g/mol. Its IUPAC name is N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-phenyloxane-4-carboxamide
PubChem CID75489035
Molecular FormulaC24H25ClN2O2
Molecular Weight408.93 g/mol
Exact Mass408.16
IUPAC NameN-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-phenyloxane-4-carboxamide
SMILESO=C(NC1CCCc2c1[nH]c1c(Cl)cccc21)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C24H25ClN2O2/c25-19-10-4-8-17-18-9-5-11-20(22(18)27-21(17)19)26-23(28)24(12-14-29-15-13-24)16-6-2-1-3-7-16/h1-4,6-8,10,20,27H,5,9,11-15H2,(H,26,28)
InChIKeyWGJPPDKUBQTVBM-UHFFFAOYSA-N
XLogP5.06
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.93
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-phenyloxane-4-carboxamide?
The IUPAC name of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-phenyloxane-4-carboxamide (CID 75489035) is N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-phenyloxane-4-carboxamide is O=C(NC1CCCc2c1[nH]c1c(Cl)cccc21)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-phenyloxane-4-carboxamide?
The InChIKey is WGJPPDKUBQTVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O2/c25-19-10-4-8-17-18-9-5-11-20(22(18)27-21(17)19)26-23(28)24(12-14-29-15-13-24)16-6-2-1-3-7-16/h1-4,6-8,10,20,27H,5,9,11-15H2,(H,26,28).
What are the key properties of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-phenyloxane-4-carboxamide?
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-phenyloxane-4-carboxamide has a molecular weight of 408.93 g/mol, XLogP of 5.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 75489035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).