N-[3-bromo-5-(1H-indol-4-yl)phenyl]acetamide

C16H13BrN2O — CID 69193862

IUPACN-[3-bromo-5-(1H-indol-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1cc(Br)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C16H13BrN2O/c1-10(20)19-13-8-11(7-12(17)9-13)14-3-2-4-16-15(14)5-6-18-16/h2-9,18H,1H3,(H,19,20)
InChIKeyMTDQEJVLWURGGY-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.56
Rot. Bonds2

About N-[3-bromo-5-(1H-indol-4-yl)phenyl]acetamide

N-[3-bromo-5-(1H-indol-4-yl)phenyl]acetamide (PubChem CID 69193862) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is N-[3-bromo-5-(1H-indol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-bromo-5-(1H-indol-4-yl)phenyl]acetamide
PubChem CID69193862
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC NameN-[3-bromo-5-(1H-indol-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1cc(Br)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C16H13BrN2O/c1-10(20)19-13-8-11(7-12(17)9-13)14-3-2-4-16-15(14)5-6-18-16/h2-9,18H,1H3,(H,19,20)
InChIKeyMTDQEJVLWURGGY-UHFFFAOYSA-N
XLogP4.56
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(3,4-difluorophenyl)-5-(1H-indol-4-yl)phenyl]acetamide
CID 25114655
N-[3-(1H-indol-4-yl)-5-(pyridine-4-carbonyl)phenyl]acetamide
CID 15603079
N-[3-(6-ethoxy-3-pyridinyl)-5-(1H-indol-4-yl)phenyl]acetamide
CID 25115108
N-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]acetamide
CID 24960412
N-(4-bromo-2,6-dimethylphenyl)-1H-indole-4-carboxamide
CID 43582014
N-(4-bromo-3,5-dimethylphenyl)-1H-indole-4-carboxamide
CID 107575074
3-anilino-5-(1H-indol-4-yl)phenol;1-bromo-3-iodo-5-methoxybenzene
CID 69237170
N-[3-(1H-indol-4-yl)phenyl]morpholine-4-carboxamide
CID 135372064
4-[3-bromo-5-(1H-indol-4-yl)phenyl]pyrimidin-2-amine
CID 25114879
N-[(3-acetamidophenyl)methyl]-1H-indole-4-carboxamide
CID 86723918
4-[3,5-bis(trifluoromethyl)phenyl]-1H-indole
CID 59107889
[3-(1H-indol-4-yl)phenyl]phosphane
CID 142467454

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-5-(1H-indol-4-yl)phenyl]acetamide?
The IUPAC name of N-[3-bromo-5-(1H-indol-4-yl)phenyl]acetamide (CID 69193862) is N-[3-bromo-5-(1H-indol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-bromo-5-(1H-indol-4-yl)phenyl]acetamide?
The canonical SMILES for N-[3-bromo-5-(1H-indol-4-yl)phenyl]acetamide is CC(=O)Nc1cc(Br)cc(-c2cccc3[nH]ccc23)c1.
What is the InChIKey of N-[3-bromo-5-(1H-indol-4-yl)phenyl]acetamide?
The InChIKey is MTDQEJVLWURGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c1-10(20)19-13-8-11(7-12(17)9-13)14-3-2-4-16-15(14)5-6-18-16/h2-9,18H,1H3,(H,19,20).
What are the key properties of N-[3-bromo-5-(1H-indol-4-yl)phenyl]acetamide?
N-[3-bromo-5-(1H-indol-4-yl)phenyl]acetamide has a molecular weight of 329.20 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-5-(1H-indol-4-yl)phenyl]acetamide is sourced from PubChem (CID 69193862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).