N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-cyanobenzamide

C23H14ClN3O2 — CID 18368131

IUPACN-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)Nc2c(C(=O)c3ccccc3)[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C23H14ClN3O2/c24-17-10-11-18-19(12-17)26-21(22(28)15-4-2-1-3-5-15)20(18)27-23(29)16-8-6-14(13-25)7-9-16/h1-12,26H,(H,27,29)
InChIKeyBQMROSVUFWYHND-UHFFFAOYSA-N
MW399.84 g/mol
LogP5.18
Rot. Bonds4

About N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-cyanobenzamide

N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-cyanobenzamide (PubChem CID 18368131) has the molecular formula C23H14ClN3O2 and a molecular weight of 399.84 g/mol. Its IUPAC name is N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-cyanobenzamide.

Molecular Properties

Compound NameN-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-cyanobenzamide
PubChem CID18368131
Molecular FormulaC23H14ClN3O2
Molecular Weight399.84 g/mol
Exact Mass399.08
IUPAC NameN-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)Nc2c(C(=O)c3ccccc3)[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C23H14ClN3O2/c24-17-10-11-18-19(12-17)26-21(22(28)15-4-2-1-3-5-15)20(18)27-23(29)16-8-6-14(13-25)7-9-16/h1-12,26H,(H,27,29)
InChIKeyBQMROSVUFWYHND-UHFFFAOYSA-N
XLogP5.18
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.84
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-cyanobenzamide?
The IUPAC name of N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-cyanobenzamide (CID 18368131) is N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-cyanobenzamide.
What is the SMILES notation for N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-cyanobenzamide?
The canonical SMILES for N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-cyanobenzamide is N#Cc1ccc(C(=O)Nc2c(C(=O)c3ccccc3)[nH]c3cc(Cl)ccc23)cc1.
What is the InChIKey of N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-cyanobenzamide?
The InChIKey is BQMROSVUFWYHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClN3O2/c24-17-10-11-18-19(12-17)26-21(22(28)15-4-2-1-3-5-15)20(18)27-23(29)16-8-6-14(13-25)7-9-16/h1-12,26H,(H,27,29).
What are the key properties of N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-cyanobenzamide?
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-cyanobenzamide has a molecular weight of 399.84 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-cyanobenzamide is sourced from PubChem (CID 18368131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).