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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Related Compounds

N-(5-Benzoyl-6-methyl-2-oxo-2H-pyran-3-yl)-3-chlorobenzamide
CID 1483052
Ethyl 3-((3-chlorobenzoyl)amino)-2-oxo-6-phenyl-2H-pyran-5-carboxylate
CID 1483053
N-(2,5-dioxo-5,6,7,8-tetrahydro-2H-chromen-3-yl)-4-methylbenzenecarboxamide
CID 1483057
Benzamide, N-(5,6,7,8-tetrahydro-2,5-dioxo-2H-1-benzopyran-3-yl)-
CID 3822112
N-(7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydro-2H-chromen-3-yl)benzamide
CID 2242400
N-(5-benzoyl-6-methyl-2-oxo-2H-pyran-3-yl)-4-chlorobenzenecarboxamide
CID 1473623
N-[6-(4-chlorophenyl)-4-methyl-2-oxo-2H-pyran-3-yl]-4-methylbenzenecarboxamide
CID 1484457
4-chloro-N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)benzamide
CID 1473615
ethyl 3-[(4-chlorobenzoyl)amino]-2-oxo-6-phenyl-2H-pyran-5-carboxylate
CID 1473617
N-{5-acetyl-6-[2-(dimethylamino)vinyl]-2-oxo-2H-pyran-3-yl}-4-chlorobenzenecarboxamide
CID 1473620
N-[6-(4-chlorophenyl)-4-methyl-2-oxo-2H-pyran-3-yl]benzenecarboxamide
CID 1484445
N-(7,7-dimethyl-2,5-dioxo-5,6,7,8-tetrahydro-2H-chromen-3-yl)-4-fluorobenzamide
CID 1254065

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).