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

C22H14BrClN2O2 — CID 18368226

IUPACN-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-bromobenzamide
SMILESO=C(Nc1c(C(=O)c2ccccc2)[nH]c2cc(Cl)ccc12)c1ccccc1Br
InChIInChI=1S/C22H14BrClN2O2/c23-17-9-5-4-8-15(17)22(28)26-19-16-11-10-14(24)12-18(16)25-20(19)21(27)13-6-2-1-3-7-13/h1-12,25H,(H,26,28)
InChIKeyHLLLJQWHGTYMSB-UHFFFAOYSA-N
MW453.72 g/mol
LogP6.07
Rot. Bonds4

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

N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-bromobenzamide (PubChem CID 18368226) has the molecular formula C22H14BrClN2O2 and a molecular weight of 453.72 g/mol. Its IUPAC name is N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-bromobenzamide.

Molecular Properties

Compound NameN-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-bromobenzamide
PubChem CID18368226
Molecular FormulaC22H14BrClN2O2
Molecular Weight453.72 g/mol
Exact Mass451.99
IUPAC NameN-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-bromobenzamide
SMILESO=C(Nc1c(C(=O)c2ccccc2)[nH]c2cc(Cl)ccc12)c1ccccc1Br
InChIInChI=1S/C22H14BrClN2O2/c23-17-9-5-4-8-15(17)22(28)26-19-16-11-10-14(24)12-18(16)25-20(19)21(27)13-6-2-1-3-7-13/h1-12,25H,(H,26,28)
InChIKeyHLLLJQWHGTYMSB-UHFFFAOYSA-N
XLogP6.07
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.72
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-bromobenzamide?
The IUPAC name of N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-bromobenzamide (CID 18368226) is N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-bromobenzamide.
What is the SMILES notation for N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-bromobenzamide?
The canonical SMILES for N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-bromobenzamide is O=C(Nc1c(C(=O)c2ccccc2)[nH]c2cc(Cl)ccc12)c1ccccc1Br.
What is the InChIKey of N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-bromobenzamide?
The InChIKey is HLLLJQWHGTYMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrClN2O2/c23-17-9-5-4-8-15(17)22(28)26-19-16-11-10-14(24)12-18(16)25-20(19)21(27)13-6-2-1-3-7-13/h1-12,25H,(H,26,28).
What are the key properties of N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-bromobenzamide?
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-bromobenzamide has a molecular weight of 453.72 g/mol, XLogP of 6.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-bromobenzamide is sourced from PubChem (CID 18368226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).