2-(6-chloro-1H-indol-3-yl)-N-(2,3-dimethylphenyl)acetamide

C18H17ClN2O — CID 113209792

IUPAC2-(6-chloro-1H-indol-3-yl)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)c1C
InChIInChI=1S/C18H17ClN2O/c1-11-4-3-5-16(12(11)2)21-18(22)8-13-10-20-17-9-14(19)6-7-15(13)17/h3-7,9-10,20H,8H2,1-2H3,(H,21,22)
InChIKeyUIILHFDVJPXHGI-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.62
Rot. Bonds3

About 2-(6-chloro-1H-indol-3-yl)-N-(2,3-dimethylphenyl)acetamide

2-(6-chloro-1H-indol-3-yl)-N-(2,3-dimethylphenyl)acetamide (PubChem CID 113209792) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)-N-(2,3-dimethylphenyl)acetamide
PubChem CID113209792
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name2-(6-chloro-1H-indol-3-yl)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)c1C
InChIInChI=1S/C18H17ClN2O/c1-11-4-3-5-16(12(11)2)21-18(22)8-13-10-20-17-9-14(19)6-7-15(13)17/h3-7,9-10,20H,8H2,1-2H3,(H,21,22)
InChIKeyUIILHFDVJPXHGI-UHFFFAOYSA-N
XLogP4.62
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(6-chloro-1H-indol-3-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 113209805
2-(6-chloro-1H-indol-3-yl)-N-(2-cyanophenyl)acetamide
CID 110864641
2-(6-chloro-1H-indol-3-yl)-N-[1-hydroxy-3-(2-methylphenyl)propan-2-yl]acetamide
CID 119044814
4-chloro-3-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-N-phenylbenzamide
CID 86885238
3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 100605551
ethyl 2-[[2-(5-chloro-1H-indol-3-yl)acetyl]amino]benzoate
CID 110428322
2-(5-chloro-1H-indol-3-yl)-N-(2-ethoxyphenyl)acetamide
CID 110422156
N-[(2-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)propanediamide
CID 108946597
2-(5-chloro-2-methylphenyl)-N-(5-hydroxynaphthalen-1-yl)acetamide
CID 158774105
N-(2,3-dimethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228165
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 113098868
N-(4-chloro-2-methylphenyl)-2-(2,3-dimethylanilino)acetamide
CID 7636870

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-3-yl)-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)-N-(2,3-dimethylphenyl)acetamide (CID 113209792) is 2-(6-chloro-1H-indol-3-yl)-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)c1C.
What is the InChIKey of 2-(6-chloro-1H-indol-3-yl)-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is UIILHFDVJPXHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-11-4-3-5-16(12(11)2)21-18(22)8-13-10-20-17-9-14(19)6-7-15(13)17/h3-7,9-10,20H,8H2,1-2H3,(H,21,22).
What are the key properties of 2-(6-chloro-1H-indol-3-yl)-N-(2,3-dimethylphenyl)acetamide?
2-(6-chloro-1H-indol-3-yl)-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 312.80 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indol-3-yl)-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 113209792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).