N-(2-bromo-4-methylphenyl)-2-(3-formylindol-1-yl)acetamide

C18H15BrN2O2 — CID 46858697

IUPACN-(2-bromo-4-methylphenyl)-2-(3-formylindol-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)c(Br)c1
InChIInChI=1S/C18H15BrN2O2/c1-12-6-7-16(15(19)8-12)20-18(23)10-21-9-13(11-22)14-4-2-3-5-17(14)21/h2-9,11H,10H2,1H3,(H,20,23)
InChIKeyUFJNFPYXCHYAAL-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.16
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-2-(3-formylindol-1-yl)acetamide

N-(2-bromo-4-methylphenyl)-2-(3-formylindol-1-yl)acetamide (PubChem CID 46858697) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(3-formylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(3-formylindol-1-yl)acetamide
PubChem CID46858697
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(3-formylindol-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)c(Br)c1
InChIInChI=1S/C18H15BrN2O2/c1-12-6-7-16(15(19)8-12)20-18(23)10-21-9-13(11-22)14-4-2-3-5-17(14)21/h2-9,11H,10H2,1H3,(H,20,23)
InChIKeyUFJNFPYXCHYAAL-UHFFFAOYSA-N
XLogP4.16
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-5-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 954284
N-(3-fluoro-2-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 5077099
2-(3-formylindol-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 4280823
N-(4-acetamidophenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858691
N-(2-chloro-6-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858687
acetaldehyde;acetylene;2-(3-formylindol-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 161125669
2-(benzotriazol-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
CID 856354
N-(2-bromo-4,5-dimethylphenyl)-2-(7-ethyl-3-formylindol-1-yl)acetamide
CID 5071903
1-[2-(4-methylphenyl)-2-oxoethyl]indole-3-carbaldehyde
CID 176509047
N-(3-chloro-4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide
CID 775578
N-butan-2-yl-2-(3-formylindol-1-yl)acetamide
CID 4255967
2-[3-(hydroxyiminomethyl)indol-1-yl]-N-(2-methylphenyl)acetamide
CID 154701184

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(3-formylindol-1-yl)acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(3-formylindol-1-yl)acetamide (CID 46858697) is N-(2-bromo-4-methylphenyl)-2-(3-formylindol-1-yl)acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(3-formylindol-1-yl)acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(3-formylindol-1-yl)acetamide is Cc1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(3-formylindol-1-yl)acetamide?
The InChIKey is UFJNFPYXCHYAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c1-12-6-7-16(15(19)8-12)20-18(23)10-21-9-13(11-22)14-4-2-3-5-17(14)21/h2-9,11H,10H2,1H3,(H,20,23).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(3-formylindol-1-yl)acetamide?
N-(2-bromo-4-methylphenyl)-2-(3-formylindol-1-yl)acetamide has a molecular weight of 371.23 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(3-formylindol-1-yl)acetamide is sourced from PubChem (CID 46858697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).