N-(3-bromophenyl)-2-(5-chloro-2-methyl-1H-indol-3-yl)acetamide

C17H14BrClN2O — CID 113212058

IUPACN-(3-bromophenyl)-2-(5-chloro-2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccc(Cl)cc2c1CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C17H14BrClN2O/c1-10-14(15-8-12(19)5-6-16(15)20-10)9-17(22)21-13-4-2-3-11(18)7-13/h2-8,20H,9H2,1H3,(H,21,22)
InChIKeyJSPIPXWNBIRUQM-UHFFFAOYSA-N
MW377.67 g/mol
LogP5.07
Rot. Bonds3

About N-(3-bromophenyl)-2-(5-chloro-2-methyl-1H-indol-3-yl)acetamide

N-(3-bromophenyl)-2-(5-chloro-2-methyl-1H-indol-3-yl)acetamide (PubChem CID 113212058) has the molecular formula C17H14BrClN2O and a molecular weight of 377.67 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(5-chloro-2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(5-chloro-2-methyl-1H-indol-3-yl)acetamide
PubChem CID113212058
Molecular FormulaC17H14BrClN2O
Molecular Weight377.67 g/mol
Exact Mass376.00
IUPAC NameN-(3-bromophenyl)-2-(5-chloro-2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccc(Cl)cc2c1CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C17H14BrClN2O/c1-10-14(15-8-12(19)5-6-16(15)20-10)9-17(22)21-13-4-2-3-11(18)7-13/h2-8,20H,9H2,1H3,(H,21,22)
InChIKeyJSPIPXWNBIRUQM-UHFFFAOYSA-N
XLogP5.07
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.67
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(3,4-difluorophenyl)acetamide
CID 113212078
N-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31856117
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(5-chloro-2-methylphenyl)acetamide
CID 113212020
methyl 4-[[2-(5-chloro-2-methyl-1H-indol-3-yl)acetyl]amino]benzoate
CID 113212048
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide
CID 113212201
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113212039
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 113211952
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 38764960
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 113211934
N-(3,5-dimethylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31901245
N-(3,4-dichlorophenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212248
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 46450419

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(5-chloro-2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(5-chloro-2-methyl-1H-indol-3-yl)acetamide (CID 113212058) is N-(3-bromophenyl)-2-(5-chloro-2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(5-chloro-2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(5-chloro-2-methyl-1H-indol-3-yl)acetamide is Cc1[nH]c2ccc(Cl)cc2c1CC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(5-chloro-2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is JSPIPXWNBIRUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN2O/c1-10-14(15-8-12(19)5-6-16(15)20-10)9-17(22)21-13-4-2-3-11(18)7-13/h2-8,20H,9H2,1H3,(H,21,22).
What are the key properties of N-(3-bromophenyl)-2-(5-chloro-2-methyl-1H-indol-3-yl)acetamide?
N-(3-bromophenyl)-2-(5-chloro-2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 377.67 g/mol, XLogP of 5.07, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(5-chloro-2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 113212058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).