2-(3-benzoylindol-1-yl)-N-(2,3-dimethylphenyl)acetamide

C25H22N2O2 — CID 2953381

IUPAC2-(3-benzoylindol-1-yl)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c3ccccc32)c1C
InChIInChI=1S/C25H22N2O2/c1-17-9-8-13-22(18(17)2)26-24(28)16-27-15-21(20-12-6-7-14-23(20)27)25(29)19-10-4-3-5-11-19/h3-15H,16H2,1-2H3,(H,26,28)
InChIKeyYXPKUJOOPNKEHN-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.13
Rot. Bonds5

About 2-(3-benzoylindol-1-yl)-N-(2,3-dimethylphenyl)acetamide

2-(3-benzoylindol-1-yl)-N-(2,3-dimethylphenyl)acetamide (PubChem CID 2953381) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(3-benzoylindol-1-yl)-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-benzoylindol-1-yl)-N-(2,3-dimethylphenyl)acetamide
PubChem CID2953381
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name2-(3-benzoylindol-1-yl)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c3ccccc32)c1C
InChIInChI=1S/C25H22N2O2/c1-17-9-8-13-22(18(17)2)26-24(28)16-27-15-21(20-12-6-7-14-23(20)27)25(29)19-10-4-3-5-11-19/h3-15H,16H2,1-2H3,(H,26,28)
InChIKeyYXPKUJOOPNKEHN-UHFFFAOYSA-N
XLogP5.13
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-[3-(2-phenoxyacetyl)indol-1-yl]acetamide
CID 3978712
2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 4114472
2-(3-benzoylindol-1-yl)-N-propan-2-ylacetamide
CID 972360
2-(3-benzoylindol-1-yl)-N-(4-bromophenyl)acetamide
CID 2953380
1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide
CID 24661406
N-(3-fluoro-2-methylphenyl)-2-(3-formylindol-1-yl)acetamide
CID 5077099
2-(3-benzoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2974288
2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 16935862
2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 164781411
2-[3-(hydroxyiminomethyl)indol-1-yl]-N-(2-methylphenyl)acetamide
CID 154701184
2-(3-benzoylindol-1-yl)-N-cyclohexylacetamide
CID 2202973
N-[2-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 4131124

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoylindol-1-yl)-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-(3-benzoylindol-1-yl)-N-(2,3-dimethylphenyl)acetamide (CID 2953381) is 2-(3-benzoylindol-1-yl)-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(3-benzoylindol-1-yl)-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-(3-benzoylindol-1-yl)-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c3ccccc32)c1C.
What is the InChIKey of 2-(3-benzoylindol-1-yl)-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is YXPKUJOOPNKEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-17-9-8-13-22(18(17)2)26-24(28)16-27-15-21(20-12-6-7-14-23(20)27)25(29)19-10-4-3-5-11-19/h3-15H,16H2,1-2H3,(H,26,28).
What are the key properties of 2-(3-benzoylindol-1-yl)-N-(2,3-dimethylphenyl)acetamide?
2-(3-benzoylindol-1-yl)-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 382.46 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoylindol-1-yl)-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 2953381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).