N-(3,4-dihydro-2H-chromen-4-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide

C26H21NO4 — CID 108811358

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)NC4CCOc5ccccc54)cc3)cc(=O)c2c1
InChIInChI=1S/C26H21NO4/c1-16-6-11-24-20(14-16)22(28)15-25(31-24)17-7-9-18(10-8-17)26(29)27-21-12-13-30-23-5-3-2-4-19(21)23/h2-11,14-15,21H,12-13H2,1H3,(H,27,29)
InChIKeyUTMMUTSJGBHDFV-UHFFFAOYSA-N
MW411.46 g/mol
LogP5.02
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide

N-(3,4-dihydro-2H-chromen-4-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide (PubChem CID 108811358) has the molecular formula C26H21NO4 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
PubChem CID108811358
Molecular FormulaC26H21NO4
Molecular Weight411.46 g/mol
Exact Mass411.15
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)NC4CCOc5ccccc54)cc3)cc(=O)c2c1
InChIInChI=1S/C26H21NO4/c1-16-6-11-24-20(14-16)22(28)15-25(31-24)17-7-9-18(10-8-17)26(29)27-21-12-13-30-23-5-3-2-4-19(21)23/h2-11,14-15,21H,12-13H2,1H3,(H,27,29)
InChIKeyUTMMUTSJGBHDFV-UHFFFAOYSA-N
XLogP5.02
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.46
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
CID 108790164
N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790363
N-benzyl-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790210
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-hydroxyethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803168
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790183
4-(6-methyl-4-oxochromen-2-yl)-N-(2-morpholin-4-ylphenyl)benzamide
CID 108790302
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide
CID 43709554
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide
CID 9091658
4-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzamide
CID 115769510

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide (CID 108811358) is N-(3,4-dihydro-2H-chromen-4-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide is Cc1ccc2oc(-c3ccc(C(=O)NC4CCOc5ccccc54)cc3)cc(=O)c2c1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The InChIKey is UTMMUTSJGBHDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO4/c1-16-6-11-24-20(14-16)22(28)15-25(31-24)17-7-9-18(10-8-17)26(29)27-21-12-13-30-23-5-3-2-4-19(21)23/h2-11,14-15,21H,12-13H2,1H3,(H,27,29).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
N-(3,4-dihydro-2H-chromen-4-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide has a molecular weight of 411.46 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide is sourced from PubChem (CID 108811358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).