3-[(4-methylindol-1-yl)methyl]benzamide

C17H16N2O — CID 116620217

IUPAC3-[(4-methylindol-1-yl)methyl]benzamide
SMILESCc1cccc2c1ccn2Cc1cccc(C(N)=O)c1
InChIInChI=1S/C17H16N2O/c1-12-4-2-7-16-15(12)8-9-19(16)11-13-5-3-6-14(10-13)17(18)20/h2-10H,11H2,1H3,(H2,18,20)
InChIKeyOQLQTCRCLSTDAI-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.10
Rot. Bonds3

About 3-[(4-methylindol-1-yl)methyl]benzamide

3-[(4-methylindol-1-yl)methyl]benzamide (PubChem CID 116620217) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[(4-methylindol-1-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(4-methylindol-1-yl)methyl]benzamide
PubChem CID116620217
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-[(4-methylindol-1-yl)methyl]benzamide
SMILESCc1cccc2c1ccn2Cc1cccc(C(N)=O)c1
InChIInChI=1S/C17H16N2O/c1-12-4-2-7-16-15(12)8-9-19(16)11-13-5-3-6-14(10-13)17(18)20/h2-10H,11H2,1H3,(H2,18,20)
InChIKeyOQLQTCRCLSTDAI-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

1-[(3,4-dichlorophenyl)methyl]-4-methylindole
CID 116620210
3-[(4-cyanoindol-1-yl)methyl]benzoic acid
CID 107918513
1-[(4-chloro-3-fluorophenyl)methyl]-4-methylindole
CID 107887790
3-(4-methylindol-1-yl)-1-phenylpropan-1-one
CID 116691890
3-[(3-methyl-2-oxo-1-pyridinyl)methyl]benzohydrazide
CID 63579248
3-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzamide
CID 115886525
[1-[(4-ethylphenyl)methyl]indol-4-yl]methanimine;4-hydroxy-3-methylbenzamide
CID 142003539
1-[(3-carbamimidoylphenyl)methyl]-4-methylindole-2-carboxamide
CID 10946700
3-[4-[(4-methylindol-1-yl)methyl]phenyl]-1,2-oxazole-5-carboxylic acid
CID 153411027
1-benzylindole-4-carbohydrazide
CID 154701001
3-[(5-methyltetrazol-2-yl)methyl]benzamide
CID 59058879
ethyl 8-[3-(indol-1-ylmethyl)phenyl]-8-oxooctanoate
CID 24724895

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylindol-1-yl)methyl]benzamide?
The IUPAC name of 3-[(4-methylindol-1-yl)methyl]benzamide (CID 116620217) is 3-[(4-methylindol-1-yl)methyl]benzamide.
What is the SMILES notation for 3-[(4-methylindol-1-yl)methyl]benzamide?
The canonical SMILES for 3-[(4-methylindol-1-yl)methyl]benzamide is Cc1cccc2c1ccn2Cc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(4-methylindol-1-yl)methyl]benzamide?
The InChIKey is OQLQTCRCLSTDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-4-2-7-16-15(12)8-9-19(16)11-13-5-3-6-14(10-13)17(18)20/h2-10H,11H2,1H3,(H2,18,20).
What are the key properties of 3-[(4-methylindol-1-yl)methyl]benzamide?
3-[(4-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 3-[(4-methylindol-1-yl)methyl]benzamide is sourced from PubChem (CID 116620217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).