2-[(6-methylindol-1-yl)methyl]benzamide

C17H16N2O — CID 116546878

IUPAC2-[(6-methylindol-1-yl)methyl]benzamide
SMILESCc1ccc2ccn(Cc3ccccc3C(N)=O)c2c1
InChIInChI=1S/C17H16N2O/c1-12-6-7-13-8-9-19(16(13)10-12)11-14-4-2-3-5-15(14)17(18)20/h2-10H,11H2,1H3,(H2,18,20)
InChIKeyOKJBNTBIBXBTGB-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.10
Rot. Bonds3

About 2-[(6-methylindol-1-yl)methyl]benzamide

2-[(6-methylindol-1-yl)methyl]benzamide (PubChem CID 116546878) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[(6-methylindol-1-yl)methyl]benzamide.

Molecular Properties

Compound Name2-[(6-methylindol-1-yl)methyl]benzamide
PubChem CID116546878
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-[(6-methylindol-1-yl)methyl]benzamide
SMILESCc1ccc2ccn(Cc3ccccc3C(N)=O)c2c1
InChIInChI=1S/C17H16N2O/c1-12-6-7-13-8-9-19(16(13)10-12)11-14-4-2-3-5-15(14)17(18)20/h2-10H,11H2,1H3,(H2,18,20)
InChIKeyOKJBNTBIBXBTGB-UHFFFAOYSA-N
XLogP3.10
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(6-fluoroindol-1-yl)methyl]benzamide
CID 116619840
2-[(6-cyanoindol-1-yl)methyl]benzamide
CID 107917663
1-[(2-carbamoylphenyl)methyl]-2-methylpyrrole-3-carboxylic acid
CID 114189487
2-[(6-methylindol-1-yl)methyl]benzonitrile
CID 116546876
2-[(6-chloroindol-1-yl)methyl]benzoic acid
CID 43473250
2-[(6-bromoindol-1-yl)methyl]benzoic acid
CID 62047229
2-[4-[(6-methylindol-1-yl)methyl]phenyl]acetic acid
CID 105345354
1-(2-fluorophenyl)-2-(6-methylindol-1-yl)ethanone
CID 62025038
2-[(4-methoxyindol-1-yl)methyl]benzamide
CID 83165956
4-[(6-bromoindol-1-yl)methyl]-3-methylbenzamide
CID 114485978
2-amino-3-(6-methylindol-1-yl)propanoic acid
CID 65442621
N,N-dimethyl-2-(6-methylindol-1-yl)acetamide
CID 116546688

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylindol-1-yl)methyl]benzamide?
The IUPAC name of 2-[(6-methylindol-1-yl)methyl]benzamide (CID 116546878) is 2-[(6-methylindol-1-yl)methyl]benzamide.
What is the SMILES notation for 2-[(6-methylindol-1-yl)methyl]benzamide?
The canonical SMILES for 2-[(6-methylindol-1-yl)methyl]benzamide is Cc1ccc2ccn(Cc3ccccc3C(N)=O)c2c1.
What is the InChIKey of 2-[(6-methylindol-1-yl)methyl]benzamide?
The InChIKey is OKJBNTBIBXBTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-6-7-13-8-9-19(16(13)10-12)11-14-4-2-3-5-15(14)17(18)20/h2-10H,11H2,1H3,(H2,18,20).
What are the key properties of 2-[(6-methylindol-1-yl)methyl]benzamide?
2-[(6-methylindol-1-yl)methyl]benzamide has a molecular weight of 264.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylindol-1-yl)methyl]benzamide is sourced from PubChem (CID 116546878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).