3-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-(3-methoxyphenyl)benzamide

C25H24N2O2 — CID 118096519

IUPAC3-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2cccc(Cc3ccc4[nH]c(C)c(C)c4c3)c2)c1
InChIInChI=1S/C25H24N2O2/c1-16-17(2)26-24-11-10-19(14-23(16)24)12-18-6-4-7-20(13-18)25(28)27-21-8-5-9-22(15-21)29-3/h4-11,13-15,26H,12H2,1-3H3,(H,27,28)
InChIKeySUPXGKPGODBKEK-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.64
Rot. Bonds5

About 3-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-(3-methoxyphenyl)benzamide

3-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-(3-methoxyphenyl)benzamide (PubChem CID 118096519) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-(3-methoxyphenyl)benzamide
PubChem CID118096519
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name3-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2cccc(Cc3ccc4[nH]c(C)c(C)c4c3)c2)c1
InChIInChI=1S/C25H24N2O2/c1-16-17(2)26-24-11-10-19(14-23(16)24)12-18-6-4-7-20(13-18)25(28)27-21-8-5-9-22(15-21)29-3/h4-11,13-15,26H,12H2,1-3H3,(H,27,28)
InChIKeySUPXGKPGODBKEK-UHFFFAOYSA-N
XLogP5.64
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-phenylbenzamide
CID 129206265
3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]benzoic acid
CID 23474692
N-(3-fluorophenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 26579048
N-[3-(dimethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 30378480
N-(3-ethylphenyl)-3-methoxybenzamide
CID 896052
3-(carbamoylamino)-N-(3-methoxyphenyl)benzamide
CID 29199856
3-methoxy-N-(2-methyl-4-oxo-1H-quinolin-6-yl)benzamide
CID 39848932
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide
CID 113212201
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 3-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-(3-methoxyphenyl)benzamide (CID 118096519) is 3-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 3-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 3-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-(3-methoxyphenyl)benzamide is COc1cccc(NC(=O)c2cccc(Cc3ccc4[nH]c(C)c(C)c4c3)c2)c1.
What is the InChIKey of 3-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-(3-methoxyphenyl)benzamide?
The InChIKey is SUPXGKPGODBKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-16-17(2)26-24-11-10-19(14-23(16)24)12-18-6-4-7-20(13-18)25(28)27-21-8-5-9-22(15-21)29-3/h4-11,13-15,26H,12H2,1-3H3,(H,27,28).
What are the key properties of 3-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-(3-methoxyphenyl)benzamide?
3-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-(3-methoxyphenyl)benzamide has a molecular weight of 384.48 g/mol, XLogP of 5.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 118096519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).