2-(6-chloroindol-1-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

C21H19ClN4O — CID 55997984

IUPAC2-(6-chloroindol-1-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(Cn1ccc2ccc(Cl)cc21)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C21H19ClN4O/c22-19-7-6-16-8-11-25(20(16)12-19)15-21(27)23-13-17-4-1-2-5-18(17)14-26-10-3-9-24-26/h1-12H,13-15H2,(H,23,27)
InChIKeyYKLDMOLLIWVXED-UHFFFAOYSA-N
MW378.86 g/mol
LogP3.86
Rot. Bonds6

About 2-(6-chloroindol-1-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

2-(6-chloroindol-1-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 55997984) has the molecular formula C21H19ClN4O and a molecular weight of 378.86 g/mol. Its IUPAC name is 2-(6-chloroindol-1-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(6-chloroindol-1-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID55997984
Molecular FormulaC21H19ClN4O
Molecular Weight378.86 g/mol
Exact Mass378.12
IUPAC Name2-(6-chloroindol-1-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(Cn1ccc2ccc(Cl)cc21)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C21H19ClN4O/c22-19-7-6-16-8-11-25(20(16)12-19)15-21(27)23-13-17-4-1-2-5-18(17)14-26-10-3-9-24-26/h1-12H,13-15H2,(H,23,27)
InChIKeyYKLDMOLLIWVXED-UHFFFAOYSA-N
XLogP3.86
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloroindol-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
CID 110908781
2-(5-chloro-2-methoxyphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 17412421
2-(6-chloroindol-1-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide
CID 86950555
2-(6-chloroindol-1-yl)-N-(1-ethylpyrazol-4-yl)acetamide
CID 71887573
N-[(2-chlorophenyl)methyl]-2-pyrazol-1-ylacetamide
CID 39724151
2-naphthalen-2-ylsulfanyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 34581407
2-(6-chloroindol-1-yl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 42655004
2-(5-chloroindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 39351923
2-(6-chloroindol-1-yl)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]acetamide
CID 166184378
2-(6-chloro-4-oxoquinolin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 100734816
3-[[2-(6-chloroindol-1-yl)acetyl]amino]-N,N-dimethylpropanamide
CID 51091479
2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide
CID 47365850

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroindol-1-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(6-chloroindol-1-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (CID 55997984) is 2-(6-chloroindol-1-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(6-chloroindol-1-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(6-chloroindol-1-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is O=C(Cn1ccc2ccc(Cl)cc21)NCc1ccccc1Cn1cccn1.
What is the InChIKey of 2-(6-chloroindol-1-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is YKLDMOLLIWVXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O/c22-19-7-6-16-8-11-25(20(16)12-19)15-21(27)23-13-17-4-1-2-5-18(17)14-26-10-3-9-24-26/h1-12H,13-15H2,(H,23,27).
What are the key properties of 2-(6-chloroindol-1-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
2-(6-chloroindol-1-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 378.86 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroindol-1-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55997984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).