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

C24H20ClN3O3 — CID 66604890

IUPAC3-(3-chlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
SMILESNC(=O)c1cc(-c2cccc(Cl)c2)cc2c1[nH]c1ccc(C(=O)N3CCOCC3)cc12
InChIInChI=1S/C24H20ClN3O3/c25-17-3-1-2-14(10-17)16-12-19-18-11-15(24(30)28-6-8-31-9-7-28)4-5-21(18)27-22(19)20(13-16)23(26)29/h1-5,10-13,27H,6-9H2,(H2,26,29)
InChIKeyPLACFDPVFWEYQL-UHFFFAOYSA-N
MW433.90 g/mol
LogP4.21
Rot. Bonds3

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

3-(3-chlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide (PubChem CID 66604890) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
PubChem CID66604890
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC Name3-(3-chlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
SMILESNC(=O)c1cc(-c2cccc(Cl)c2)cc2c1[nH]c1ccc(C(=O)N3CCOCC3)cc12
InChIInChI=1S/C24H20ClN3O3/c25-17-3-1-2-14(10-17)16-12-19-18-11-15(24(30)28-6-8-31-9-7-28)4-5-21(18)27-22(19)20(13-16)23(26)29/h1-5,10-13,27H,6-9H2,(H2,26,29)
InChIKeyPLACFDPVFWEYQL-UHFFFAOYSA-N
XLogP4.21
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide (CID 66604890) is 3-(3-chlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide is NC(=O)c1cc(-c2cccc(Cl)c2)cc2c1[nH]c1ccc(C(=O)N3CCOCC3)cc12.
What is the InChIKey of 3-(3-chlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
The InChIKey is PLACFDPVFWEYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c25-17-3-1-2-14(10-17)16-12-19-18-11-15(24(30)28-6-8-31-9-7-28)4-5-21(18)27-22(19)20(13-16)23(26)29/h1-5,10-13,27H,6-9H2,(H2,26,29).
What are the key properties of 3-(3-chlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
3-(3-chlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide has a molecular weight of 433.90 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 66604890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).