2-(5-bromo-3-cyanoindol-1-yl)-N-propan-2-ylacetamide

C14H14BrN3O — CID 972836

IUPAC2-(5-bromo-3-cyanoindol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc(C#N)c2cc(Br)ccc21
InChIInChI=1S/C14H14BrN3O/c1-9(2)17-14(19)8-18-7-10(6-16)12-5-11(15)3-4-13(12)18/h3-5,7,9H,8H2,1-2H3,(H,17,19)
InChIKeyWRHXFFOTRWOMMD-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.80
Rot. Bonds3

About 2-(5-bromo-3-cyanoindol-1-yl)-N-propan-2-ylacetamide

2-(5-bromo-3-cyanoindol-1-yl)-N-propan-2-ylacetamide (PubChem CID 972836) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-(5-bromo-3-cyanoindol-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-bromo-3-cyanoindol-1-yl)-N-propan-2-ylacetamide
PubChem CID972836
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name2-(5-bromo-3-cyanoindol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cc(C#N)c2cc(Br)ccc21
InChIInChI=1S/C14H14BrN3O/c1-9(2)17-14(19)8-18-7-10(6-16)12-5-11(15)3-4-13(12)18/h3-5,7,9H,8H2,1-2H3,(H,17,19)
InChIKeyWRHXFFOTRWOMMD-UHFFFAOYSA-N
XLogP2.80
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromotryptamine
CID 77158
2-(5-bromo-1H-indol-3-yl)acetonitrile
CID 13805944
Indole, 5-bromo-3-(dimethylamino)methyl-
CID 13249
(R,S)-1-(5-bromo-1H-indol-1-yl)propan-2-amine
CID 10753358
5-Bromo-N,N-Dimethyltryptamine
CID 360252
N-[2-(2-bromoindol-1-yl)ethyl]propanamide
CID 155546299
(Z)-3-(5-bromo-1H-indol-3-yl)-2-pyridin-2-ylprop-2-enenitrile
CID 6300106
2-(3-cyano-1H-indol-1-yl)-N-(3-pyridinylmethyl)acetamide
CID 894234
N-(2-(1H-Indol-1-yl)ethyl)acetamide
CID 3237007
3-(5-Bromo-1H-indol-3-yl)-N,N-dimethylpropan-1-amine
CID 11426012
5-bromo-3-(1-methyl-1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole
CID 14973208
N-(2-(5-Bromo-1H-indol-3-yl)ethyl)acetamide
CID 44281234

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-cyanoindol-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(5-bromo-3-cyanoindol-1-yl)-N-propan-2-ylacetamide (CID 972836) is 2-(5-bromo-3-cyanoindol-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5-bromo-3-cyanoindol-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5-bromo-3-cyanoindol-1-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1cc(C#N)c2cc(Br)ccc21.
What is the InChIKey of 2-(5-bromo-3-cyanoindol-1-yl)-N-propan-2-ylacetamide?
The InChIKey is WRHXFFOTRWOMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-9(2)17-14(19)8-18-7-10(6-16)12-5-11(15)3-4-13(12)18/h3-5,7,9H,8H2,1-2H3,(H,17,19).
What are the key properties of 2-(5-bromo-3-cyanoindol-1-yl)-N-propan-2-ylacetamide?
2-(5-bromo-3-cyanoindol-1-yl)-N-propan-2-ylacetamide has a molecular weight of 320.19 g/mol, XLogP of 2.80, 3 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-propan-2-ylacetamide is sourced from PubChem (CID 972836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).