N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide

C25H21NO3 — CID 108790363

IUPACN-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)Nc4c(C)cccc4C)cc3)cc(=O)c2c1
InChIInChI=1S/C25H21NO3/c1-15-7-12-22-20(13-15)21(27)14-23(29-22)18-8-10-19(11-9-18)25(28)26-24-16(2)5-4-6-17(24)3/h4-14H,1-3H3,(H,26,28)
InChIKeyIOOKHFQUIBHUAG-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.64
Rot. Bonds3

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

N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide (PubChem CID 108790363) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
PubChem CID108790363
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC NameN-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)Nc4c(C)cccc4C)cc3)cc(=O)c2c1
InChIInChI=1S/C25H21NO3/c1-15-7-12-22-20(13-15)21(27)14-23(29-22)18-8-10-19(11-9-18)25(28)26-24-16(2)5-4-6-17(24)3/h4-14H,1-3H3,(H,26,28)
InChIKeyIOOKHFQUIBHUAG-UHFFFAOYSA-N
XLogP5.64
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
CID 108790164
N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790183
N-(3-chloro-2-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790173
N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790282
N-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803154
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-quinolin-8-ylbenzamide
CID 108790350
4-(6-methyl-4-oxochromen-2-yl)-N-(2,3,4-trifluorophenyl)benzamide
CID 108803013
N-(2-hydroxyethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803168
N-(4-butylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790185

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide (CID 108790363) is N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide is Cc1ccc2oc(-c3ccc(C(=O)Nc4c(C)cccc4C)cc3)cc(=O)c2c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The InChIKey is IOOKHFQUIBHUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3/c1-15-7-12-22-20(13-15)21(27)14-23(29-22)18-8-10-19(11-9-18)25(28)26-24-16(2)5-4-6-17(24)3/h4-14H,1-3H3,(H,26,28).
What are the key properties of N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide has a molecular weight of 383.45 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide is sourced from PubChem (CID 108790363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).