4-[(5-acetamidoindol-1-yl)methyl]benzamide

C18H17N3O2 — CID 71812129

IUPAC4-[(5-acetamidoindol-1-yl)methyl]benzamide
SMILESCC(=O)Nc1ccc2c(ccn2Cc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C18H17N3O2/c1-12(22)20-16-6-7-17-15(10-16)8-9-21(17)11-13-2-4-14(5-3-13)18(19)23/h2-10H,11H2,1H3,(H2,19,23)(H,20,22)
InChIKeyCCPTVGOSJHSQCE-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.75
Rot. Bonds4

About 4-[(5-acetamidoindol-1-yl)methyl]benzamide

4-[(5-acetamidoindol-1-yl)methyl]benzamide (PubChem CID 71812129) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[(5-acetamidoindol-1-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(5-acetamidoindol-1-yl)methyl]benzamide
PubChem CID71812129
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-[(5-acetamidoindol-1-yl)methyl]benzamide
SMILESCC(=O)Nc1ccc2c(ccn2Cc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C18H17N3O2/c1-12(22)20-16-6-7-17-15(10-16)8-9-21(17)11-13-2-4-14(5-3-13)18(19)23/h2-10H,11H2,1H3,(H2,19,23)(H,20,22)
InChIKeyCCPTVGOSJHSQCE-UHFFFAOYSA-N
XLogP2.75
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-acetamidoindol-1-yl)methyl]benzamide?
The IUPAC name of 4-[(5-acetamidoindol-1-yl)methyl]benzamide (CID 71812129) is 4-[(5-acetamidoindol-1-yl)methyl]benzamide.
What is the SMILES notation for 4-[(5-acetamidoindol-1-yl)methyl]benzamide?
The canonical SMILES for 4-[(5-acetamidoindol-1-yl)methyl]benzamide is CC(=O)Nc1ccc2c(ccn2Cc2ccc(C(N)=O)cc2)c1.
What is the InChIKey of 4-[(5-acetamidoindol-1-yl)methyl]benzamide?
The InChIKey is CCPTVGOSJHSQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12(22)20-16-6-7-17-15(10-16)8-9-21(17)11-13-2-4-14(5-3-13)18(19)23/h2-10H,11H2,1H3,(H2,19,23)(H,20,22).
What are the key properties of 4-[(5-acetamidoindol-1-yl)methyl]benzamide?
4-[(5-acetamidoindol-1-yl)methyl]benzamide has a molecular weight of 307.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-acetamidoindol-1-yl)methyl]benzamide is sourced from PubChem (CID 71812129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).