N-(2-bromo-4,5-dimethylphenyl)-2-(5-bromoindol-1-yl)acetamide

C18H16Br2N2O — CID 4048909

IUPACN-(2-bromo-4,5-dimethylphenyl)-2-(5-bromoindol-1-yl)acetamide
SMILESCc1cc(Br)c(NC(=O)Cn2ccc3cc(Br)ccc32)cc1C
InChIInChI=1S/C18H16Br2N2O/c1-11-7-15(20)16(8-12(11)2)21-18(23)10-22-6-5-13-9-14(19)3-4-17(13)22/h3-9H,10H2,1-2H3,(H,21,23)
InChIKeySTKKZVGVRUKQDR-UHFFFAOYSA-N
MW436.15 g/mol
LogP5.42
Rot. Bonds3

About N-(2-bromo-4,5-dimethylphenyl)-2-(5-bromoindol-1-yl)acetamide

N-(2-bromo-4,5-dimethylphenyl)-2-(5-bromoindol-1-yl)acetamide (PubChem CID 4048909) has the molecular formula C18H16Br2N2O and a molecular weight of 436.15 g/mol. Its IUPAC name is N-(2-bromo-4,5-dimethylphenyl)-2-(5-bromoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4,5-dimethylphenyl)-2-(5-bromoindol-1-yl)acetamide
PubChem CID4048909
Molecular FormulaC18H16Br2N2O
Molecular Weight436.15 g/mol
Exact Mass433.96
IUPAC NameN-(2-bromo-4,5-dimethylphenyl)-2-(5-bromoindol-1-yl)acetamide
SMILESCc1cc(Br)c(NC(=O)Cn2ccc3cc(Br)ccc32)cc1C
InChIInChI=1S/C18H16Br2N2O/c1-11-7-15(20)16(8-12(11)2)21-18(23)10-22-6-5-13-9-14(19)3-4-17(13)22/h3-9H,10H2,1-2H3,(H,21,23)
InChIKeySTKKZVGVRUKQDR-UHFFFAOYSA-N
XLogP5.42
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.15
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide
CID 4291378
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-(3,4-dimethoxyphenyl)acetamide
CID 42537123
N-(4-bromo-3-chlorophenyl)-2-(5-bromoindol-1-yl)acetamide
CID 4063742
2-(5-bromoindol-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 63567580
N-[(5-bromoindol-1-yl)methyl]acetamide
CID 173119259
(2S)-2-[[2-(5-bromoindol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 39310431
2-(5-bromoindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40631420
2-(5-bromoindol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 3420795
2-(6-bromo-4-oxoquinolin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 100736460
2-(5-bromoindol-1-yl)-N-(1H-indol-5-yl)acetamide
CID 42507122

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,5-dimethylphenyl)-2-(5-bromoindol-1-yl)acetamide?
The IUPAC name of N-(2-bromo-4,5-dimethylphenyl)-2-(5-bromoindol-1-yl)acetamide (CID 4048909) is N-(2-bromo-4,5-dimethylphenyl)-2-(5-bromoindol-1-yl)acetamide.
What is the SMILES notation for N-(2-bromo-4,5-dimethylphenyl)-2-(5-bromoindol-1-yl)acetamide?
The canonical SMILES for N-(2-bromo-4,5-dimethylphenyl)-2-(5-bromoindol-1-yl)acetamide is Cc1cc(Br)c(NC(=O)Cn2ccc3cc(Br)ccc32)cc1C.
What is the InChIKey of N-(2-bromo-4,5-dimethylphenyl)-2-(5-bromoindol-1-yl)acetamide?
The InChIKey is STKKZVGVRUKQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Br2N2O/c1-11-7-15(20)16(8-12(11)2)21-18(23)10-22-6-5-13-9-14(19)3-4-17(13)22/h3-9H,10H2,1-2H3,(H,21,23).
What are the key properties of N-(2-bromo-4,5-dimethylphenyl)-2-(5-bromoindol-1-yl)acetamide?
N-(2-bromo-4,5-dimethylphenyl)-2-(5-bromoindol-1-yl)acetamide has a molecular weight of 436.15 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,5-dimethylphenyl)-2-(5-bromoindol-1-yl)acetamide is sourced from PubChem (CID 4048909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).