7-(4-chlorophenyl)-9-(furan-3-ylmethyl)carbazole-4-carboxamide

C24H17ClN2O2 — CID 174399731

IUPAC7-(4-chlorophenyl)-9-(furan-3-ylmethyl)carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccc(Cl)cc3)cc1n2Cc1ccoc1
InChIInChI=1S/C24H17ClN2O2/c25-18-7-4-16(5-8-18)17-6-9-19-22(12-17)27(13-15-10-11-29-14-15)21-3-1-2-20(23(19)21)24(26)28/h1-12,14H,13H2,(H2,26,28)
InChIKeyVKZCYRNLNUJVIY-UHFFFAOYSA-N
MW400.87 g/mol
LogP5.86
Rot. Bonds4

About 7-(4-chlorophenyl)-9-(furan-3-ylmethyl)carbazole-4-carboxamide

7-(4-chlorophenyl)-9-(furan-3-ylmethyl)carbazole-4-carboxamide (PubChem CID 174399731) has the molecular formula C24H17ClN2O2 and a molecular weight of 400.87 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-9-(furan-3-ylmethyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name7-(4-chlorophenyl)-9-(furan-3-ylmethyl)carbazole-4-carboxamide
PubChem CID174399731
Molecular FormulaC24H17ClN2O2
Molecular Weight400.87 g/mol
Exact Mass400.10
IUPAC Name7-(4-chlorophenyl)-9-(furan-3-ylmethyl)carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3ccc(Cl)cc3)cc1n2Cc1ccoc1
InChIInChI=1S/C24H17ClN2O2/c25-18-7-4-16(5-8-18)17-6-9-19-22(12-17)27(13-15-10-11-29-14-15)21-3-1-2-20(23(19)21)24(26)28/h1-12,14H,13H2,(H2,26,28)
InChIKeyVKZCYRNLNUJVIY-UHFFFAOYSA-N
XLogP5.86
TPSA61.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.87
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-9-(furan-3-ylmethyl)carbazole-4-carboxamide?
The IUPAC name of 7-(4-chlorophenyl)-9-(furan-3-ylmethyl)carbazole-4-carboxamide (CID 174399731) is 7-(4-chlorophenyl)-9-(furan-3-ylmethyl)carbazole-4-carboxamide.
What is the SMILES notation for 7-(4-chlorophenyl)-9-(furan-3-ylmethyl)carbazole-4-carboxamide?
The canonical SMILES for 7-(4-chlorophenyl)-9-(furan-3-ylmethyl)carbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(-c3ccc(Cl)cc3)cc1n2Cc1ccoc1.
What is the InChIKey of 7-(4-chlorophenyl)-9-(furan-3-ylmethyl)carbazole-4-carboxamide?
The InChIKey is VKZCYRNLNUJVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O2/c25-18-7-4-16(5-8-18)17-6-9-19-22(12-17)27(13-15-10-11-29-14-15)21-3-1-2-20(23(19)21)24(26)28/h1-12,14H,13H2,(H2,26,28).
What are the key properties of 7-(4-chlorophenyl)-9-(furan-3-ylmethyl)carbazole-4-carboxamide?
7-(4-chlorophenyl)-9-(furan-3-ylmethyl)carbazole-4-carboxamide has a molecular weight of 400.87 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-9-(furan-3-ylmethyl)carbazole-4-carboxamide is sourced from PubChem (CID 174399731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).