N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzamide

C19H14N2O2 — CID 155533409

IUPACN-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzamide
SMILESCN1C(=O)c2cccc3c(NC(=O)c4ccccc4)ccc1c23
InChIInChI=1S/C19H14N2O2/c1-21-16-11-10-15(20-18(22)12-6-3-2-4-7-12)13-8-5-9-14(17(13)16)19(21)23/h2-11H,1H3,(H,20,22)
InChIKeyAZTSPXCNGVBHOK-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.68
Rot. Bonds2

About N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzamide

N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzamide (PubChem CID 155533409) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzamide
PubChem CID155533409
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC NameN-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzamide
SMILESCN1C(=O)c2cccc3c(NC(=O)c4ccccc4)ccc1c23
InChIInChI=1S/C19H14N2O2/c1-21-16-11-10-15(20-18(22)12-6-3-2-4-7-12)13-8-5-9-14(17(13)16)19(21)23/h2-11H,1H3,(H,20,22)
InChIKeyAZTSPXCNGVBHOK-UHFFFAOYSA-N
XLogP3.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzamide?
The IUPAC name of N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzamide (CID 155533409) is N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzamide.
What is the SMILES notation for N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzamide?
The canonical SMILES for N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzamide is CN1C(=O)c2cccc3c(NC(=O)c4ccccc4)ccc1c23.
What is the InChIKey of N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzamide?
The InChIKey is AZTSPXCNGVBHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-21-16-11-10-15(20-18(22)12-6-3-2-4-7-12)13-8-5-9-14(17(13)16)19(21)23/h2-11H,1H3,(H,20,22).
What are the key properties of N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzamide?
N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzamide has a molecular weight of 302.33 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxobenzo[cd]indol-6-yl)benzamide is sourced from PubChem (CID 155533409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).