4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide

C24H19NO3 — CID 108790164

IUPAC4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3cc(=O)c4cc(C)ccc4o3)cc2)cc1
InChIInChI=1S/C24H19NO3/c1-15-3-10-19(11-4-15)25-24(27)18-8-6-17(7-9-18)23-14-21(26)20-13-16(2)5-12-22(20)28-23/h3-14H,1-2H3,(H,25,27)
InChIKeyYKSUDUWHADGAIX-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.33
Rot. Bonds3

About 4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide

4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide (PubChem CID 108790164) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
PubChem CID108790164
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Name4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3cc(=O)c4cc(C)ccc4o3)cc2)cc1
InChIInChI=1S/C24H19NO3/c1-15-3-10-19(11-4-15)25-24(27)18-8-6-17(7-9-18)23-14-21(26)20-13-16(2)5-12-22(20)28-23/h3-14H,1-2H3,(H,25,27)
InChIKeyYKSUDUWHADGAIX-UHFFFAOYSA-N
XLogP5.33
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790183
N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790282
N-[4-(diethylamino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790344
N-(4-butylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790185
N-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803154
N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790363
N-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803001
4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-pyridinyl)benzamide
CID 108803125
4-(6-methyl-4-oxochromen-2-yl)-N-(3-nitrophenyl)benzamide
CID 108803167
4-(6-methyl-4-oxochromen-2-yl)-N-(2,3,4-trifluorophenyl)benzamide
CID 108803013
4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776
N-(2-hydroxyethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803168

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide?
The IUPAC name of 4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide (CID 108790164) is 4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide?
The canonical SMILES for 4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(-c3cc(=O)c4cc(C)ccc4o3)cc2)cc1.
What is the InChIKey of 4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide?
The InChIKey is YKSUDUWHADGAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3/c1-15-3-10-19(11-4-15)25-24(27)18-8-6-17(7-9-18)23-14-21(26)20-13-16(2)5-12-22(20)28-23/h3-14H,1-2H3,(H,25,27).
What are the key properties of 4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide?
4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide has a molecular weight of 369.42 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 108790164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).