N-(3-acetylphenyl)-6-methyl-4-oxochromene-2-carboxamide

C19H15NO4 — CID 16648984

IUPACN-(3-acetylphenyl)-6-methyl-4-oxochromene-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(=O)c3cc(C)ccc3o2)c1
InChIInChI=1S/C19H15NO4/c1-11-6-7-17-15(8-11)16(22)10-18(24-17)19(23)20-14-5-3-4-13(9-14)12(2)21/h3-10H,1-2H3,(H,20,23)
InChIKeyWHPCMJKZTJUOKY-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.56
Rot. Bonds3

About N-(3-acetylphenyl)-6-methyl-4-oxochromene-2-carboxamide

N-(3-acetylphenyl)-6-methyl-4-oxochromene-2-carboxamide (PubChem CID 16648984) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is N-(3-acetylphenyl)-6-methyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-6-methyl-4-oxochromene-2-carboxamide
PubChem CID16648984
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC NameN-(3-acetylphenyl)-6-methyl-4-oxochromene-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(=O)c3cc(C)ccc3o2)c1
InChIInChI=1S/C19H15NO4/c1-11-6-7-17-15(8-11)16(22)10-18(24-17)19(23)20-14-5-3-4-13(9-14)12(2)21/h3-10H,1-2H3,(H,20,23)
InChIKeyWHPCMJKZTJUOKY-UHFFFAOYSA-N
XLogP3.56
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-6-methyl-1-benzofuran-2-carboxamide
CID 84577090
N-(2,1,3-benzothiadiazol-5-yl)-6-methyl-4-oxochromene-2-carboxamide
CID 20897494
N-(2,5-dimethylphenyl)-6-methyl-4-oxochromene-2-carboxamide
CID 23605544
N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide
CID 3536636
6-methyl-4-oxochromene-2-carboxylic acid
CID 688704
methyl 6-methyl-4-oxochromene-2-carboxylate
CID 7021690
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-6-fluoro-4-oxochromene-2-carboxamide
CID 154860909
ethyl 6-benzamido-4-oxochromene-2-carboxylate
CID 22471894
N-(3-acetylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 84578185
N-(3-acetylphenyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide
CID 18872372
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-methyl-4-oxochromene-2-carboxamide
CID 4871364
N-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568672

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-6-methyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-6-methyl-4-oxochromene-2-carboxamide (CID 16648984) is N-(3-acetylphenyl)-6-methyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-6-methyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-6-methyl-4-oxochromene-2-carboxamide is CC(=O)c1cccc(NC(=O)c2cc(=O)c3cc(C)ccc3o2)c1.
What is the InChIKey of N-(3-acetylphenyl)-6-methyl-4-oxochromene-2-carboxamide?
The InChIKey is WHPCMJKZTJUOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-11-6-7-17-15(8-11)16(22)10-18(24-17)19(23)20-14-5-3-4-13(9-14)12(2)21/h3-10H,1-2H3,(H,20,23).
What are the key properties of N-(3-acetylphenyl)-6-methyl-4-oxochromene-2-carboxamide?
N-(3-acetylphenyl)-6-methyl-4-oxochromene-2-carboxamide has a molecular weight of 321.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-6-methyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 16648984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).