2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide

C15H19BrN2O — CID 116621827

IUPAC2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)Cn1ccc2ccc(Br)cc21
InChIInChI=1S/C15H19BrN2O/c1-10(2)11(3)17-15(19)9-18-7-6-12-4-5-13(16)8-14(12)18/h4-8,10-11H,9H2,1-3H3,(H,17,19)
InChIKeyPDACTLJHIOHPMO-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.56
Rot. Bonds4

About 2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide

2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 116621827) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
PubChem CID116621827
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)Cn1ccc2ccc(Br)cc21
InChIInChI=1S/C15H19BrN2O/c1-10(2)11(3)17-15(19)9-18-7-6-12-4-5-13(16)8-14(12)18/h4-8,10-11H,9H2,1-3H3,(H,17,19)
InChIKeyPDACTLJHIOHPMO-UHFFFAOYSA-N
XLogP3.56
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-aminoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 61489016
2-[[2-(6-bromoindol-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 75117669
2-[[2-(6-bromoindol-1-yl)acetyl]amino]-3-methylpentanoic acid
CID 75117800
2-(6-bromoindol-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 90489428
(2S)-2-[[2-(5-bromoindol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 39310431
1-(6-bromoindol-1-yl)butan-2-one
CID 62039344
2-(6-bromoindol-1-yl)-N-(3-chlorophenyl)acetamide
CID 116621944
2-(7-bromo-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide
CID 100739512
2-(6-aminoindol-1-yl)-N-butan-2-ylacetamide
CID 43308924
2-(5-bromoindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40631420
2-(6-methylindol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 62023194
2-(6-aminoindol-1-yl)-N-pentan-2-ylacetamide
CID 61490204

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide (CID 116621827) is 2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)Cn1ccc2ccc(Br)cc21.
What is the InChIKey of 2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is PDACTLJHIOHPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-10(2)11(3)17-15(19)9-18-7-6-12-4-5-13(16)8-14(12)18/h4-8,10-11H,9H2,1-3H3,(H,17,19).
What are the key properties of 2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide?
2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 323.23 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 116621827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).