3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide

C24H19Cl2N3O3 — CID 66604359

IUPAC3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
SMILESNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)cc2c1[nH]c1ccc(C(=O)N3CCOCC3)cc12
InChIInChI=1S/C24H19Cl2N3O3/c25-19-3-1-13(12-20(19)26)15-10-17-16-9-14(24(31)29-5-7-32-8-6-29)2-4-21(16)28-22(17)18(11-15)23(27)30/h1-4,9-12,28H,5-8H2,(H2,27,30)
InChIKeyFYEWVKCORNQLFP-UHFFFAOYSA-N
MW468.34 g/mol
LogP4.87
Rot. Bonds3

About 3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide

3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide (PubChem CID 66604359) has the molecular formula C24H19Cl2N3O3 and a molecular weight of 468.34 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
PubChem CID66604359
Molecular FormulaC24H19Cl2N3O3
Molecular Weight468.34 g/mol
Exact Mass467.08
IUPAC Name3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
SMILESNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)cc2c1[nH]c1ccc(C(=O)N3CCOCC3)cc12
InChIInChI=1S/C24H19Cl2N3O3/c25-19-3-1-13(12-20(19)26)15-10-17-16-9-14(24(31)29-5-7-32-8-6-29)2-4-21(16)28-22(17)18(11-15)23(27)30/h1-4,9-12,28H,5-8H2,(H2,27,30)
InChIKeyFYEWVKCORNQLFP-UHFFFAOYSA-N
XLogP4.87
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.34
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide (CID 66604359) is 3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide is NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)cc2c1[nH]c1ccc(C(=O)N3CCOCC3)cc12.
What is the InChIKey of 3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
The InChIKey is FYEWVKCORNQLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O3/c25-19-3-1-13(12-20(19)26)15-10-17-16-9-14(24(31)29-5-7-32-8-6-29)2-4-21(16)28-22(17)18(11-15)23(27)30/h1-4,9-12,28H,5-8H2,(H2,27,30).
What are the key properties of 3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide has a molecular weight of 468.34 g/mol, XLogP of 4.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 66604359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).