4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(2,3-dimethylphenyl)benzamide

C26H23NO3 — CID 108787032

IUPAC4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(2,3-dimethylphenyl)benzamide
SMILESCc1cc(C)c2oc(-c3ccc(C(=O)Nc4cccc(C)c4C)cc3)cc(=O)c2c1
InChIInChI=1S/C26H23NO3/c1-15-12-17(3)25-21(13-15)23(28)14-24(30-25)19-8-10-20(11-9-19)26(29)27-22-7-5-6-16(2)18(22)4/h5-14H,1-4H3,(H,27,29)
InChIKeyXNQOFXYYKIXGLM-UHFFFAOYSA-N
MW397.47 g/mol
LogP5.95
Rot. Bonds3

About 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(2,3-dimethylphenyl)benzamide

4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(2,3-dimethylphenyl)benzamide (PubChem CID 108787032) has the molecular formula C26H23NO3 and a molecular weight of 397.47 g/mol. Its IUPAC name is 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(2,3-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(2,3-dimethylphenyl)benzamide
PubChem CID108787032
Molecular FormulaC26H23NO3
Molecular Weight397.47 g/mol
Exact Mass397.17
IUPAC Name4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(2,3-dimethylphenyl)benzamide
SMILESCc1cc(C)c2oc(-c3ccc(C(=O)Nc4cccc(C)c4C)cc3)cc(=O)c2c1
InChIInChI=1S/C26H23NO3/c1-15-12-17(3)25-21(13-15)23(28)14-24(30-25)19-8-10-20(11-9-19)26(29)27-22-7-5-6-16(2)18(22)4/h5-14H,1-4H3,(H,27,29)
InChIKeyXNQOFXYYKIXGLM-UHFFFAOYSA-N
XLogP5.95
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787054
N-(4-bromo-2-methylphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108799914
N-(3-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787110
N-(4-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108786947
N-(2,4-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108799946
N-tert-butyl-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787059
N-(4-chloro-2,5-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787133
N-(3-chloro-2-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790173
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 108800008
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 108799991
N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790363
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 108800017

Frequently Asked Questions

What is the IUPAC name of 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(2,3-dimethylphenyl)benzamide?
The IUPAC name of 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(2,3-dimethylphenyl)benzamide (CID 108787032) is 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(2,3-dimethylphenyl)benzamide.
What is the SMILES notation for 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(2,3-dimethylphenyl)benzamide?
The canonical SMILES for 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(2,3-dimethylphenyl)benzamide is Cc1cc(C)c2oc(-c3ccc(C(=O)Nc4cccc(C)c4C)cc3)cc(=O)c2c1.
What is the InChIKey of 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(2,3-dimethylphenyl)benzamide?
The InChIKey is XNQOFXYYKIXGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO3/c1-15-12-17(3)25-21(13-15)23(28)14-24(30-25)19-8-10-20(11-9-19)26(29)27-22-7-5-6-16(2)18(22)4/h5-14H,1-4H3,(H,27,29).
What are the key properties of 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(2,3-dimethylphenyl)benzamide?
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(2,3-dimethylphenyl)benzamide has a molecular weight of 397.47 g/mol, XLogP of 5.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(2,3-dimethylphenyl)benzamide is sourced from PubChem (CID 108787032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).