1-(1-benzyl-2-chloro-6-methylindol-3-yl)ethanone

C18H16ClNO — CID 82269669

IUPAC1-(1-benzyl-2-chloro-6-methylindol-3-yl)ethanone
SMILESCC(=O)c1c(Cl)n(Cc2ccccc2)c2cc(C)ccc12
InChIInChI=1S/C18H16ClNO/c1-12-8-9-15-16(10-12)20(18(19)17(15)13(2)21)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyCJGZUMHPKZJAMH-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.85
Rot. Bonds3

About 1-(1-benzyl-2-chloro-6-methylindol-3-yl)ethanone

1-(1-benzyl-2-chloro-6-methylindol-3-yl)ethanone (PubChem CID 82269669) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is 1-(1-benzyl-2-chloro-6-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-benzyl-2-chloro-6-methylindol-3-yl)ethanone
PubChem CID82269669
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name1-(1-benzyl-2-chloro-6-methylindol-3-yl)ethanone
SMILESCC(=O)c1c(Cl)n(Cc2ccccc2)c2cc(C)ccc12
InChIInChI=1S/C18H16ClNO/c1-12-8-9-15-16(10-12)20(18(19)17(15)13(2)21)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyCJGZUMHPKZJAMH-UHFFFAOYSA-N
XLogP4.85
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzyl-5-chloro-2-methylindol-3-yl)ethanone
CID 23552892
1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-methyl-2-propan-2-ylindole-3-carboxamide
CID 59762391
5-benzyl-2,9-dimethylphenanthridin-6-one
CID 86257513
1-(2-chloro-1-propylindol-3-yl)ethanone
CID 82268364
1-benzyl-3-[[(3-chlorophenyl)methylamino]methyl]-6-methylindole-2-carboxylic acid
CID 53208823
9-benzyl-2-[(E)-2-(4-methylphenyl)ethenyl]-7-[(E)-2-phenylethenyl]carbazole
CID 89277250
2-methyl-1-[(3-methylphenyl)methyl]indole-3-carboxylic acid
CID 91690082
1-(1-benzyl-2-chloroindol-3-yl)-3-phenylprop-2-yn-1-one
CID 155167852
10-benzyl-2-chloro-7-methylacridin-9-one
CID 139792411
1-[2-chloro-1-(3-methylbut-3-enyl)indol-3-yl]ethanone
CID 101492532
2-(1-benzyl-2,3-dimethylindol-6-yl)acetic acid
CID 54330061
1-[2-chloro-1-(4-phenylbut-3-ynyl)indol-3-yl]ethanone
CID 53386957

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2-chloro-6-methylindol-3-yl)ethanone?
The IUPAC name of 1-(1-benzyl-2-chloro-6-methylindol-3-yl)ethanone (CID 82269669) is 1-(1-benzyl-2-chloro-6-methylindol-3-yl)ethanone.
What is the SMILES notation for 1-(1-benzyl-2-chloro-6-methylindol-3-yl)ethanone?
The canonical SMILES for 1-(1-benzyl-2-chloro-6-methylindol-3-yl)ethanone is CC(=O)c1c(Cl)n(Cc2ccccc2)c2cc(C)ccc12.
What is the InChIKey of 1-(1-benzyl-2-chloro-6-methylindol-3-yl)ethanone?
The InChIKey is CJGZUMHPKZJAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c1-12-8-9-15-16(10-12)20(18(19)17(15)13(2)21)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3.
What are the key properties of 1-(1-benzyl-2-chloro-6-methylindol-3-yl)ethanone?
1-(1-benzyl-2-chloro-6-methylindol-3-yl)ethanone has a molecular weight of 297.79 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-2-chloro-6-methylindol-3-yl)ethanone is sourced from PubChem (CID 82269669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).