2-[(4-methoxyindol-1-yl)methyl]benzamide

C17H16N2O2 — CID 83165956

IUPAC2-[(4-methoxyindol-1-yl)methyl]benzamide
SMILESCOc1cccc2c1ccn2Cc1ccccc1C(N)=O
InChIInChI=1S/C17H16N2O2/c1-21-16-8-4-7-15-14(16)9-10-19(15)11-12-5-2-3-6-13(12)17(18)20/h2-10H,11H2,1H3,(H2,18,20)
InChIKeyJVIJRLSFAVRCHJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.80
Rot. Bonds4

About 2-[(4-methoxyindol-1-yl)methyl]benzamide

2-[(4-methoxyindol-1-yl)methyl]benzamide (PubChem CID 83165956) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[(4-methoxyindol-1-yl)methyl]benzamide.

Molecular Properties

Compound Name2-[(4-methoxyindol-1-yl)methyl]benzamide
PubChem CID83165956
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-[(4-methoxyindol-1-yl)methyl]benzamide
SMILESCOc1cccc2c1ccn2Cc1ccccc1C(N)=O
InChIInChI=1S/C17H16N2O2/c1-21-16-8-4-7-15-14(16)9-10-19(15)11-12-5-2-3-6-13(12)17(18)20/h2-10H,11H2,1H3,(H2,18,20)
InChIKeyJVIJRLSFAVRCHJ-UHFFFAOYSA-N
XLogP2.80
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(4-bromoindol-1-yl)methyl]benzoate
CID 82959434
methyl 2-[(4-fluoroindol-1-yl)methyl]benzoate
CID 82956923
methyl 2-[(4-chloroindol-1-yl)methyl]benzoate
CID 82954358
4-bromo-1-[(2-methoxyphenyl)methyl]indole
CID 116626014
ethyl 2-(4-methoxyindol-1-yl)acetate
CID 83162389
5-fluoro-2-[(4-methoxyindol-1-yl)methyl]aniline
CID 83162859
methyl 3-(4-methoxyindol-1-yl)propanoate
CID 83162468
3-(4-methoxyindol-1-yl)-1-phenylpropan-1-one
CID 116691996
1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole
CID 103050113
2-[(6-methylindol-1-yl)methyl]benzamide
CID 116546878
[1-[(2-fluoro-3-methoxyphenyl)methyl]indol-4-yl]methanamine
CID 104792943
2-[(6-fluoroindol-1-yl)methyl]benzamide
CID 116619840

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyindol-1-yl)methyl]benzamide?
The IUPAC name of 2-[(4-methoxyindol-1-yl)methyl]benzamide (CID 83165956) is 2-[(4-methoxyindol-1-yl)methyl]benzamide.
What is the SMILES notation for 2-[(4-methoxyindol-1-yl)methyl]benzamide?
The canonical SMILES for 2-[(4-methoxyindol-1-yl)methyl]benzamide is COc1cccc2c1ccn2Cc1ccccc1C(N)=O.
What is the InChIKey of 2-[(4-methoxyindol-1-yl)methyl]benzamide?
The InChIKey is JVIJRLSFAVRCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-16-8-4-7-15-14(16)9-10-19(15)11-12-5-2-3-6-13(12)17(18)20/h2-10H,11H2,1H3,(H2,18,20).
What are the key properties of 2-[(4-methoxyindol-1-yl)methyl]benzamide?
2-[(4-methoxyindol-1-yl)methyl]benzamide has a molecular weight of 280.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyindol-1-yl)methyl]benzamide is sourced from PubChem (CID 83165956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).