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

C16H12ClNO4 — CID 1483049

IUPAC3-chloro-N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)benzamide
SMILESO=C(Nc1cc2c(oc1=O)CCCC2=O)c1cccc(Cl)c1
InChIInChI=1S/C16H12ClNO4/c17-10-4-1-3-9(7-10)15(20)18-12-8-11-13(19)5-2-6-14(11)22-16(12)21/h1,3-4,7-8H,2,5-6H2,(H,18,20)
InChIKeyACFYFZIDBMZTRV-UHFFFAOYSA-N
MW317.73 g/mol
LogP3.06
Rot. Bonds2

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

3-chloro-N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)benzamide (PubChem CID 1483049) has the molecular formula C16H12ClNO4 and a molecular weight of 317.73 g/mol. Its IUPAC name is 3-chloro-N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)benzamide
PubChem CID1483049
Molecular FormulaC16H12ClNO4
Molecular Weight317.73 g/mol
Exact Mass317.05
IUPAC Name3-chloro-N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)benzamide
SMILESO=C(Nc1cc2c(oc1=O)CCCC2=O)c1cccc(Cl)c1
InChIInChI=1S/C16H12ClNO4/c17-10-4-1-3-9(7-10)15(20)18-12-8-11-13(19)5-2-6-14(11)22-16(12)21/h1,3-4,7-8H,2,5-6H2,(H,18,20)
InChIKeyACFYFZIDBMZTRV-UHFFFAOYSA-N
XLogP3.06
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)benzamide?
The IUPAC name of 3-chloro-N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)benzamide (CID 1483049) is 3-chloro-N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)benzamide?
The canonical SMILES for 3-chloro-N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)benzamide is O=C(Nc1cc2c(oc1=O)CCCC2=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)benzamide?
The InChIKey is ACFYFZIDBMZTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO4/c17-10-4-1-3-9(7-10)15(20)18-12-8-11-13(19)5-2-6-14(11)22-16(12)21/h1,3-4,7-8H,2,5-6H2,(H,18,20).
What are the key properties of 3-chloro-N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)benzamide?
3-chloro-N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)benzamide has a molecular weight of 317.73 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)benzamide is sourced from PubChem (CID 1483049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).