2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide

C16H12Br2N2O — CID 4291378

IUPAC2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide
SMILESO=C(Cn1ccc2cc(Br)ccc21)Nc1ccc(Br)cc1
InChIInChI=1S/C16H12Br2N2O/c17-12-1-4-14(5-2-12)19-16(21)10-20-8-7-11-9-13(18)3-6-15(11)20/h1-9H,10H2,(H,19,21)
InChIKeyLKLIUIJMSHCPCW-UHFFFAOYSA-N
MW408.09 g/mol
LogP4.80
Rot. Bonds3

About 2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide

2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide (PubChem CID 4291378) has the molecular formula C16H12Br2N2O and a molecular weight of 408.09 g/mol. Its IUPAC name is 2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide
PubChem CID4291378
Molecular FormulaC16H12Br2N2O
Molecular Weight408.09 g/mol
Exact Mass405.93
IUPAC Name2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide
SMILESO=C(Cn1ccc2cc(Br)ccc21)Nc1ccc(Br)cc1
InChIInChI=1S/C16H12Br2N2O/c17-12-1-4-14(5-2-12)19-16(21)10-20-8-7-11-9-13(18)3-6-15(11)20/h1-9H,10H2,(H,19,21)
InChIKeyLKLIUIJMSHCPCW-UHFFFAOYSA-N
XLogP4.80
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.09
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-chlorophenyl)-2-(5-bromoindol-1-yl)acetamide
CID 4063742
2-(5-bromoindol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 42537123
2-(5-bromoindol-1-yl)-N-(1H-indol-5-yl)acetamide
CID 42507122
N-(4-bromophenyl)-2-(6-methylindol-1-yl)acetamide
CID 116546776
N-(2-bromo-4,5-dimethylphenyl)-2-(5-bromoindol-1-yl)acetamide
CID 4048909
2-(5-bromoindol-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 4571080
2-(5-bromoindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 4070259
2-(5-bromoindol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 3420795
N-(4-bromophenyl)-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 43833238
(2S)-2-[[2-(5-bromoindol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 39310431
N-[(5-bromoindol-1-yl)methyl]acetamide
CID 173119259
2-(7-aminoindol-1-yl)-N-(4-bromophenyl)acetamide
CID 114935756

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide (CID 4291378) is 2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide is O=C(Cn1ccc2cc(Br)ccc21)Nc1ccc(Br)cc1.
What is the InChIKey of 2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide?
The InChIKey is LKLIUIJMSHCPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2N2O/c17-12-1-4-14(5-2-12)19-16(21)10-20-8-7-11-9-13(18)3-6-15(11)20/h1-9H,10H2,(H,19,21).
What are the key properties of 2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide?
2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide has a molecular weight of 408.09 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 4291378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).