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

C18H15NO3 — CID 132941421

IUPACN-(3,4-dimethylphenyl)-4-oxochromene-3-carboxamide
SMILESCc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1C
InChIInChI=1S/C18H15NO3/c1-11-7-8-13(9-12(11)2)19-18(21)15-10-22-16-6-4-3-5-14(16)17(15)20/h3-10H,1-2H3,(H,19,21)
InChIKeyWDCZOLPCRVTBPH-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.66
Rot. Bonds2

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

N-(3,4-dimethylphenyl)-4-oxochromene-3-carboxamide (PubChem CID 132941421) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-oxochromene-3-carboxamide
PubChem CID132941421
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC NameN-(3,4-dimethylphenyl)-4-oxochromene-3-carboxamide
SMILESCc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1C
InChIInChI=1S/C18H15NO3/c1-11-7-8-13(9-12(11)2)19-18(21)15-10-22-16-6-4-3-5-14(16)17(15)20/h3-10H,1-2H3,(H,19,21)
InChIKeyWDCZOLPCRVTBPH-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

4-oxo-N-(4-sulfanylphenyl)chromene-3-carboxamide
CID 155566561
ethyl 4-[(4-oxochromene-3-carbonyl)amino]benzoate
CID 2332762
N-(2,3-dimethylphenyl)-4-oxochromene-3-carboxamide
CID 155549718
2-(1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 110485842
N-(9,10-dioxoanthracen-2-yl)-1-benzofuran-3-carboxamide
CID 2892917
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide
CID 4138821
2-methyl-N-(9-oxoxanthen-3-yl)benzamide
CID 23472165
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide
CID 7172929
N-(3,4-dimethylphenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3316389
N-(3,4-dimethylphenyl)-2,3-dimethylbenzamide
CID 26593883
N-(3,4-dimethylphenyl)dibenzofuran-2-carboxamide
CID 18876126
N-pyridin-4-yl-1-benzofuran-3-carboxamide
CID 6492144

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-oxochromene-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-oxochromene-3-carboxamide (CID 132941421) is N-(3,4-dimethylphenyl)-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-oxochromene-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-oxochromene-3-carboxamide is Cc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-oxochromene-3-carboxamide?
The InChIKey is WDCZOLPCRVTBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-11-7-8-13(9-12(11)2)19-18(21)15-10-22-16-6-4-3-5-14(16)17(15)20/h3-10H,1-2H3,(H,19,21).
What are the key properties of N-(3,4-dimethylphenyl)-4-oxochromene-3-carboxamide?
N-(3,4-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-(3,4-dimethylphenyl)-4-oxochromene-3-carboxamide is sourced from PubChem (CID 132941421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).