2-(6-bromoindol-1-yl)-N-(3-chlorophenyl)acetamide

C16H12BrClN2O — CID 116621944

IUPAC2-(6-bromoindol-1-yl)-N-(3-chlorophenyl)acetamide
SMILESO=C(Cn1ccc2ccc(Br)cc21)Nc1cccc(Cl)c1
InChIInChI=1S/C16H12BrClN2O/c17-12-5-4-11-6-7-20(15(11)8-12)10-16(21)19-14-3-1-2-13(18)9-14/h1-9H,10H2,(H,19,21)
InChIKeyFDGCEQWIFVLRJN-UHFFFAOYSA-N
MW363.64 g/mol
LogP4.70
Rot. Bonds3

About 2-(6-bromoindol-1-yl)-N-(3-chlorophenyl)acetamide

2-(6-bromoindol-1-yl)-N-(3-chlorophenyl)acetamide (PubChem CID 116621944) has the molecular formula C16H12BrClN2O and a molecular weight of 363.64 g/mol. Its IUPAC name is 2-(6-bromoindol-1-yl)-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(6-bromoindol-1-yl)-N-(3-chlorophenyl)acetamide
PubChem CID116621944
Molecular FormulaC16H12BrClN2O
Molecular Weight363.64 g/mol
Exact Mass361.98
IUPAC Name2-(6-bromoindol-1-yl)-N-(3-chlorophenyl)acetamide
SMILESO=C(Cn1ccc2ccc(Br)cc21)Nc1cccc(Cl)c1
InChIInChI=1S/C16H12BrClN2O/c17-12-5-4-11-6-7-20(15(11)8-12)10-16(21)19-14-3-1-2-13(18)9-14/h1-9H,10H2,(H,19,21)
InChIKeyFDGCEQWIFVLRJN-UHFFFAOYSA-N
XLogP4.70
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.64
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-chloroindol-1-yl)-N-(3-methylphenyl)acetamide
CID 115590570
N-(3-chlorophenyl)-2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 53032158
2-(6-chloroindol-1-yl)-N-(4-fluorophenyl)acetamide
CID 115590572
2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 116621827
N-(4-bromophenyl)-2-(6-methylindol-1-yl)acetamide
CID 116546776
N-(4-bromo-3-chlorophenyl)-2-(5-bromoindol-1-yl)acetamide
CID 4063742
2-(5-bromoindol-1-yl)-N-(4-bromophenyl)acetamide
CID 4291378
2-(6-bromoindol-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 90489428
2-(5-bromoindol-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 4571080
N-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 60724518
2-[[2-(6-bromoindol-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 75117669
2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide
CID 47365850

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoindol-1-yl)-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-(6-bromoindol-1-yl)-N-(3-chlorophenyl)acetamide (CID 116621944) is 2-(6-bromoindol-1-yl)-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-(6-bromoindol-1-yl)-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-(6-bromoindol-1-yl)-N-(3-chlorophenyl)acetamide is O=C(Cn1ccc2ccc(Br)cc21)Nc1cccc(Cl)c1.
What is the InChIKey of 2-(6-bromoindol-1-yl)-N-(3-chlorophenyl)acetamide?
The InChIKey is FDGCEQWIFVLRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2O/c17-12-5-4-11-6-7-20(15(11)8-12)10-16(21)19-14-3-1-2-13(18)9-14/h1-9H,10H2,(H,19,21).
What are the key properties of 2-(6-bromoindol-1-yl)-N-(3-chlorophenyl)acetamide?
2-(6-bromoindol-1-yl)-N-(3-chlorophenyl)acetamide has a molecular weight of 363.64 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoindol-1-yl)-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 116621944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).