N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)-4-methylbenzamide

C17H15NO4 — CID 1483057

IUPACN-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc3c(oc2=O)CCCC3=O)cc1
InChIInChI=1S/C17H15NO4/c1-10-5-7-11(8-6-10)16(20)18-13-9-12-14(19)3-2-4-15(12)22-17(13)21/h5-9H,2-4H2,1H3,(H,18,20)
InChIKeyJCEBMQWAMLUFEX-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.72
Rot. Bonds2

About N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)-4-methylbenzamide

N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)-4-methylbenzamide (PubChem CID 1483057) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)-4-methylbenzamide
PubChem CID1483057
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC NameN-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc3c(oc2=O)CCCC3=O)cc1
InChIInChI=1S/C17H15NO4/c1-10-5-7-11(8-6-10)16(20)18-13-9-12-14(19)3-2-4-15(12)22-17(13)21/h5-9H,2-4H2,1H3,(H,18,20)
InChIKeyJCEBMQWAMLUFEX-UHFFFAOYSA-N
XLogP2.72
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)-4-methylbenzamide?
The IUPAC name of N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)-4-methylbenzamide (CID 1483057) is N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)-4-methylbenzamide.
What is the SMILES notation for N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)-4-methylbenzamide?
The canonical SMILES for N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc3c(oc2=O)CCCC3=O)cc1.
What is the InChIKey of N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)-4-methylbenzamide?
The InChIKey is JCEBMQWAMLUFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-10-5-7-11(8-6-10)16(20)18-13-9-12-14(19)3-2-4-15(12)22-17(13)21/h5-9H,2-4H2,1H3,(H,18,20).
What are the key properties of N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)-4-methylbenzamide?
N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)-4-methylbenzamide has a molecular weight of 297.31 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)-4-methylbenzamide is sourced from PubChem (CID 1483057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).