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

C16H13NO4 — CID 3822112

IUPACN-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)benzamide
SMILESO=C(Nc1cc2c(oc1=O)CCCC2=O)c1ccccc1
InChIInChI=1S/C16H13NO4/c18-13-7-4-8-14-11(13)9-12(16(20)21-14)17-15(19)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,17,19)
InChIKeyGQZMDTJXDDZFJT-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.41
Rot. Bonds2

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

N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)benzamide (PubChem CID 3822112) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)benzamide.

Molecular Properties

Compound NameN-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)benzamide
PubChem CID3822112
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC NameN-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)benzamide
SMILESO=C(Nc1cc2c(oc1=O)CCCC2=O)c1ccccc1
InChIInChI=1S/C16H13NO4/c18-13-7-4-8-14-11(13)9-12(16(20)21-14)17-15(19)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,17,19)
InChIKeyGQZMDTJXDDZFJT-UHFFFAOYSA-N
XLogP2.41
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.41
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)benzamide?
The IUPAC name of N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)benzamide (CID 3822112) is N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)benzamide.
What is the SMILES notation for N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)benzamide?
The canonical SMILES for N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)benzamide is O=C(Nc1cc2c(oc1=O)CCCC2=O)c1ccccc1.
What is the InChIKey of N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)benzamide?
The InChIKey is GQZMDTJXDDZFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c18-13-7-4-8-14-11(13)9-12(16(20)21-14)17-15(19)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,17,19).
What are the key properties of N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)benzamide?
N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)benzamide has a molecular weight of 283.28 g/mol, XLogP of 2.41, 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)benzamide is sourced from PubChem (CID 3822112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).