N-(2,3-dimethylphenyl)-4-oxochromene-3-carboxamide

C18H15NO3 — CID 155549718

IUPACN-(2,3-dimethylphenyl)-4-oxochromene-3-carboxamide
SMILESCc1cccc(NC(=O)c2coc3ccccc3c2=O)c1C
InChIInChI=1S/C18H15NO3/c1-11-6-5-8-15(12(11)2)19-18(21)14-10-22-16-9-4-3-7-13(16)17(14)20/h3-10H,1-2H3,(H,19,21)
InChIKeyZMJDOQSBDCIKDZ-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.66
Rot. Bonds2

About N-(2,3-dimethylphenyl)-4-oxochromene-3-carboxamide

N-(2,3-dimethylphenyl)-4-oxochromene-3-carboxamide (PubChem CID 155549718) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-oxochromene-3-carboxamide
PubChem CID155549718
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC NameN-(2,3-dimethylphenyl)-4-oxochromene-3-carboxamide
SMILESCc1cccc(NC(=O)c2coc3ccccc3c2=O)c1C
InChIInChI=1S/C18H15NO3/c1-11-6-5-8-15(12(11)2)19-18(21)14-10-22-16-9-4-3-7-13(16)17(14)20/h3-10H,1-2H3,(H,19,21)
InChIKeyZMJDOQSBDCIKDZ-UHFFFAOYSA-N
XLogP3.66
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-methyl-4-oxochromene-3-carboxamide
CID 139794915
N-(3,4-dimethylphenyl)-4-oxochromene-3-carboxamide
CID 132941421
4-oxo-N-(4-sulfanylphenyl)chromene-3-carboxamide
CID 155566561
4-methyl-N-(4-oxochromen-3-yl)benzamide
CID 155539705
ethyl 4-[(4-oxochromene-3-carbonyl)amino]benzoate
CID 2332762
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-oxochromene-3-carboxamide
CID 23794306
N-(4-amino-2,5-dimethylphenyl)-1-benzofuran-3-carboxamide
CID 103144519
N-(2-benzoyl-4-chlorophenyl)-4-oxochromene-3-carboxamide
CID 7126144
2-[(2,3-dimethylphenyl)carbamoyl]benzoate
CID 6950917
N-(2,3-dimethylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694521
methyl N-[2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 7167067
2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 103852657

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-oxochromene-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-oxochromene-3-carboxamide (CID 155549718) is N-(2,3-dimethylphenyl)-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-oxochromene-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-oxochromene-3-carboxamide is Cc1cccc(NC(=O)c2coc3ccccc3c2=O)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-oxochromene-3-carboxamide?
The InChIKey is ZMJDOQSBDCIKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-11-6-5-8-15(12(11)2)19-18(21)14-10-22-16-9-4-3-7-13(16)17(14)20/h3-10H,1-2H3,(H,19,21).
What are the key properties of N-(2,3-dimethylphenyl)-4-oxochromene-3-carboxamide?
N-(2,3-dimethylphenyl)-4-oxochromene-3-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-oxochromene-3-carboxamide is sourced from PubChem (CID 155549718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).