2-(6-chloroindol-1-yl)-N-(3-methylphenyl)acetamide

C17H15ClN2O — CID 115590570

IUPAC2-(6-chloroindol-1-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2ccc3ccc(Cl)cc32)c1
InChIInChI=1S/C17H15ClN2O/c1-12-3-2-4-15(9-12)19-17(21)11-20-8-7-13-5-6-14(18)10-16(13)20/h2-10H,11H2,1H3,(H,19,21)
InChIKeyNWOWKAAZTVKCTD-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.24
Rot. Bonds3

About 2-(6-chloroindol-1-yl)-N-(3-methylphenyl)acetamide

2-(6-chloroindol-1-yl)-N-(3-methylphenyl)acetamide (PubChem CID 115590570) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-(6-chloroindol-1-yl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-chloroindol-1-yl)-N-(3-methylphenyl)acetamide
PubChem CID115590570
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name2-(6-chloroindol-1-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2ccc3ccc(Cl)cc32)c1
InChIInChI=1S/C17H15ClN2O/c1-12-3-2-4-15(9-12)19-17(21)11-20-8-7-13-5-6-14(18)10-16(13)20/h2-10H,11H2,1H3,(H,19,21)
InChIKeyNWOWKAAZTVKCTD-UHFFFAOYSA-N
XLogP4.24
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-bromoindol-1-yl)-N-(3-chlorophenyl)acetamide
CID 116621944
2-(6-chloroindol-1-yl)-N-(4-fluorophenyl)acetamide
CID 115590572
2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide
CID 47365850
N-(4-bromophenyl)-2-(6-methylindol-1-yl)acetamide
CID 116546776
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-(1-ethylpyrazol-4-yl)acetamide
CID 71887573
N-(4-aminophenyl)-2-(6-methylindol-1-yl)acetamide
CID 43163433
2-[[2-(6-chloroindol-1-yl)acetyl]amino]propanediamide
CID 56798550
2-(3-ethyl-2-oxoimidazol-1-yl)-N-(3-methylphenyl)acetamide
CID 116624138
2-(6-chloroindol-1-yl)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]acetamide
CID 166184378
N-(3-acetamidophenyl)-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 100735847
2-(3-chloro-2-oxopyrazin-1-yl)-N-(3-methylphenyl)acetamide
CID 114561806

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroindol-1-yl)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(6-chloroindol-1-yl)-N-(3-methylphenyl)acetamide (CID 115590570) is 2-(6-chloroindol-1-yl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(6-chloroindol-1-yl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(6-chloroindol-1-yl)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2ccc3ccc(Cl)cc32)c1.
What is the InChIKey of 2-(6-chloroindol-1-yl)-N-(3-methylphenyl)acetamide?
The InChIKey is NWOWKAAZTVKCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-12-3-2-4-15(9-12)19-17(21)11-20-8-7-13-5-6-14(18)10-16(13)20/h2-10H,11H2,1H3,(H,19,21).
What are the key properties of 2-(6-chloroindol-1-yl)-N-(3-methylphenyl)acetamide?
2-(6-chloroindol-1-yl)-N-(3-methylphenyl)acetamide has a molecular weight of 298.77 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroindol-1-yl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 115590570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).