2-(4-bromoindol-1-yl)-N-(1H-indol-4-yl)acetamide

C18H14BrN3O — CID 56763620

IUPAC2-(4-bromoindol-1-yl)-N-(1H-indol-4-yl)acetamide
SMILESO=C(Cn1ccc2c(Br)cccc21)Nc1cccc2[nH]ccc12
InChIInChI=1S/C18H14BrN3O/c19-14-3-1-6-17-12(14)8-10-22(17)11-18(23)21-16-5-2-4-15-13(16)7-9-20-15/h1-10,20H,11H2,(H,21,23)
InChIKeyPXLQOQYNTPXJTP-UHFFFAOYSA-N
MW368.23 g/mol
LogP4.52
Rot. Bonds3

About 2-(4-bromoindol-1-yl)-N-(1H-indol-4-yl)acetamide

2-(4-bromoindol-1-yl)-N-(1H-indol-4-yl)acetamide (PubChem CID 56763620) has the molecular formula C18H14BrN3O and a molecular weight of 368.23 g/mol. Its IUPAC name is 2-(4-bromoindol-1-yl)-N-(1H-indol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromoindol-1-yl)-N-(1H-indol-4-yl)acetamide
PubChem CID56763620
Molecular FormulaC18H14BrN3O
Molecular Weight368.23 g/mol
Exact Mass367.03
IUPAC Name2-(4-bromoindol-1-yl)-N-(1H-indol-4-yl)acetamide
SMILESO=C(Cn1ccc2c(Br)cccc21)Nc1cccc2[nH]ccc12
InChIInChI=1S/C18H14BrN3O/c19-14-3-1-6-17-12(14)8-10-22(17)11-18(23)21-16-5-2-4-15-13(16)7-9-20-15/h1-10,20H,11H2,(H,21,23)
InChIKeyPXLQOQYNTPXJTP-UHFFFAOYSA-N
XLogP4.52
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromoindol-1-yl)-N-[1-(2-methoxyethyl)indol-4-yl]acetamide
CID 56763638
2-(4-bromoindol-1-yl)-N-propan-2-ylacetamide
CID 116626047
2-amino-N-(1H-indol-4-yl)acetamide
CID 110470011
2-(1H-indol-3-yl)-N-(1H-indol-4-yl)acetamide
CID 110745009
N-(1H-indol-4-yl)-2-(5-methoxy-2-methyl-4-oxo-1-pyridinyl)acetamide
CID 110204502
2-(4-aminophenyl)-N-(1H-indol-4-yl)acetamide
CID 110472744
2-(4-acetamidoindol-1-yl)-N-[1-(2-methylpropyl)indol-4-yl]acetamide
CID 71827915
N-(2-hydroxyphenyl)-2-(1H-indol-4-yl)acetamide
CID 139642119
N-(1H-indol-4-yl)-2-(2-phenylethylamino)acetamide
CID 141013500
N-(2-aminophenyl)-2-(4-fluoroindol-1-yl)acetamide
CID 82782601
N-(1H-indol-4-yl)-4-(methylamino)butanamide;hydrochloride
CID 119706198
N-(1H-indol-4-yl)-2,2-dimethylpropanamide
CID 110730904

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoindol-1-yl)-N-(1H-indol-4-yl)acetamide?
The IUPAC name of 2-(4-bromoindol-1-yl)-N-(1H-indol-4-yl)acetamide (CID 56763620) is 2-(4-bromoindol-1-yl)-N-(1H-indol-4-yl)acetamide.
What is the SMILES notation for 2-(4-bromoindol-1-yl)-N-(1H-indol-4-yl)acetamide?
The canonical SMILES for 2-(4-bromoindol-1-yl)-N-(1H-indol-4-yl)acetamide is O=C(Cn1ccc2c(Br)cccc21)Nc1cccc2[nH]ccc12.
What is the InChIKey of 2-(4-bromoindol-1-yl)-N-(1H-indol-4-yl)acetamide?
The InChIKey is PXLQOQYNTPXJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O/c19-14-3-1-6-17-12(14)8-10-22(17)11-18(23)21-16-5-2-4-15-13(16)7-9-20-15/h1-10,20H,11H2,(H,21,23).
What are the key properties of 2-(4-bromoindol-1-yl)-N-(1H-indol-4-yl)acetamide?
2-(4-bromoindol-1-yl)-N-(1H-indol-4-yl)acetamide has a molecular weight of 368.23 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoindol-1-yl)-N-(1H-indol-4-yl)acetamide is sourced from PubChem (CID 56763620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).