2-(5-bromo-3-cyanoindol-1-yl)-N-[(1R)-1-phenylethyl]acetamide

C19H16BrN3O — CID 1095444

IUPAC2-(5-bromo-3-cyanoindol-1-yl)-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)Cn1cc(C#N)c2cc(Br)ccc21)c1ccccc1
InChIInChI=1S/C19H16BrN3O/c1-13(14-5-3-2-4-6-14)22-19(24)12-23-11-15(10-21)17-9-16(20)7-8-18(17)23/h2-9,11,13H,12H2,1H3,(H,22,24)/t13-/m1/s1
InChIKeySOEVJGQJGNFOCF-CYBMUJFWSA-N
MW382.26 g/mol
LogP4.15
Rot. Bonds4

About 2-(5-bromo-3-cyanoindol-1-yl)-N-[(1R)-1-phenylethyl]acetamide

2-(5-bromo-3-cyanoindol-1-yl)-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 1095444) has the molecular formula C19H16BrN3O and a molecular weight of 382.26 g/mol. Its IUPAC name is 2-(5-bromo-3-cyanoindol-1-yl)-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-3-cyanoindol-1-yl)-N-[(1R)-1-phenylethyl]acetamide
PubChem CID1095444
Molecular FormulaC19H16BrN3O
Molecular Weight382.26 g/mol
Exact Mass381.05
IUPAC Name2-(5-bromo-3-cyanoindol-1-yl)-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)Cn1cc(C#N)c2cc(Br)ccc21)c1ccccc1
InChIInChI=1S/C19H16BrN3O/c1-13(14-5-3-2-4-6-14)22-19(24)12-23-11-15(10-21)17-9-16(20)7-8-18(17)23/h2-9,11,13H,12H2,1H3,(H,22,24)/t13-/m1/s1
InChIKeySOEVJGQJGNFOCF-CYBMUJFWSA-N
XLogP4.15
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-3-cyanoindol-1-yl)-N-(1-phenylethyl)acetamide
CID 2972798
2-(5-bromoindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40631420
methyl 2-[[2-(6-bromo-3-cyano-4-oxoquinolin-1-yl)acetyl]amino]-4-methylpentanoate
CID 86888586
2-(5-bromo-3-cyanoindol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40610787
5-bromo-1-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]indole-3-carbonitrile
CID 41168614
2-(3-cyanoindol-1-yl)-N-(3-methylbutyl)acetamide
CID 46858714
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)acetamide
CID 110839260
2-cyano-N-[(1R)-1-phenylethyl]acetamide
CID 2164179
2-(6-fluoro-4-oxoquinolin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 100742748
N-benzyl-2-(3-cyanoindol-1-yl)acetamide
CID 668666
2-(4-bromopyrazol-1-yl)-N-(1-phenylethyl)acetamide
CID 19524551
2-(5-amino-2-oxo-1-pyridinyl)-N-(1-phenylethyl)acetamide
CID 62816679

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-cyanoindol-1-yl)-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-(5-bromo-3-cyanoindol-1-yl)-N-[(1R)-1-phenylethyl]acetamide (CID 1095444) is 2-(5-bromo-3-cyanoindol-1-yl)-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(5-bromo-3-cyanoindol-1-yl)-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(5-bromo-3-cyanoindol-1-yl)-N-[(1R)-1-phenylethyl]acetamide is C[C@@H](NC(=O)Cn1cc(C#N)c2cc(Br)ccc21)c1ccccc1.
What is the InChIKey of 2-(5-bromo-3-cyanoindol-1-yl)-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is SOEVJGQJGNFOCF-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H16BrN3O/c1-13(14-5-3-2-4-6-14)22-19(24)12-23-11-15(10-21)17-9-16(20)7-8-18(17)23/h2-9,11,13H,12H2,1H3,(H,22,24)/t13-/m1/s1.
What are the key properties of 2-(5-bromo-3-cyanoindol-1-yl)-N-[(1R)-1-phenylethyl]acetamide?
2-(5-bromo-3-cyanoindol-1-yl)-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 382.26 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-cyanoindol-1-yl)-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 1095444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).