N-(4-bromophenyl)-2-(6-methylindol-1-yl)acetamide

C17H15BrN2O — CID 116546776

IUPACN-(4-bromophenyl)-2-(6-methylindol-1-yl)acetamide
SMILESCc1ccc2ccn(CC(=O)Nc3ccc(Br)cc3)c2c1
InChIInChI=1S/C17H15BrN2O/c1-12-2-3-13-8-9-20(16(13)10-12)11-17(21)19-15-6-4-14(18)5-7-15/h2-10H,11H2,1H3,(H,19,21)
InChIKeyZLPOXLOVVXBTJZ-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.35
Rot. Bonds3

About N-(4-bromophenyl)-2-(6-methylindol-1-yl)acetamide

N-(4-bromophenyl)-2-(6-methylindol-1-yl)acetamide (PubChem CID 116546776) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(6-methylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(6-methylindol-1-yl)acetamide
PubChem CID116546776
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC NameN-(4-bromophenyl)-2-(6-methylindol-1-yl)acetamide
SMILESCc1ccc2ccn(CC(=O)Nc3ccc(Br)cc3)c2c1
InChIInChI=1S/C17H15BrN2O/c1-12-2-3-13-8-9-20(16(13)10-12)11-17(21)19-15-6-4-14(18)5-7-15/h2-10H,11H2,1H3,(H,19,21)
InChIKeyZLPOXLOVVXBTJZ-UHFFFAOYSA-N
XLogP4.35
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(6-methylindol-1-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(6-methylindol-1-yl)acetamide (CID 116546776) is N-(4-bromophenyl)-2-(6-methylindol-1-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(6-methylindol-1-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(6-methylindol-1-yl)acetamide is Cc1ccc2ccn(CC(=O)Nc3ccc(Br)cc3)c2c1.
What is the InChIKey of N-(4-bromophenyl)-2-(6-methylindol-1-yl)acetamide?
The InChIKey is ZLPOXLOVVXBTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-12-2-3-13-8-9-20(16(13)10-12)11-17(21)19-15-6-4-14(18)5-7-15/h2-10H,11H2,1H3,(H,19,21).
What are the key properties of N-(4-bromophenyl)-2-(6-methylindol-1-yl)acetamide?
N-(4-bromophenyl)-2-(6-methylindol-1-yl)acetamide has a molecular weight of 343.22 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(6-methylindol-1-yl)acetamide is sourced from PubChem (CID 116546776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).