4-fluoro-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide

C24H18FNO3 — CID 7463129

IUPAC4-fluoro-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide
SMILESCc1cccc(-c2c(NC(=O)c3ccc(F)cc3)oc3c(C)cccc3c2=O)c1
InChIInChI=1S/C24H18FNO3/c1-14-5-3-7-17(13-14)20-21(27)19-8-4-6-15(2)22(19)29-24(20)26-23(28)16-9-11-18(25)12-10-16/h3-13H,1-2H3,(H,26,28)
InChIKeyNZMYNLWAFGHMCJ-UHFFFAOYSA-N
MW387.41 g/mol
LogP5.47
Rot. Bonds3

About 4-fluoro-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide

4-fluoro-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide (PubChem CID 7463129) has the molecular formula C24H18FNO3 and a molecular weight of 387.41 g/mol. Its IUPAC name is 4-fluoro-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide
PubChem CID7463129
Molecular FormulaC24H18FNO3
Molecular Weight387.41 g/mol
Exact Mass387.13
IUPAC Name4-fluoro-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide
SMILESCc1cccc(-c2c(NC(=O)c3ccc(F)cc3)oc3c(C)cccc3c2=O)c1
InChIInChI=1S/C24H18FNO3/c1-14-5-3-7-17(13-14)20-21(27)19-8-4-6-15(2)22(19)29-24(20)26-23(28)16-9-11-18(25)12-10-16/h3-13H,1-2H3,(H,26,28)
InChIKeyNZMYNLWAFGHMCJ-UHFFFAOYSA-N
XLogP5.47
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.41
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide (CID 7463129) is 4-fluoro-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide is Cc1cccc(-c2c(NC(=O)c3ccc(F)cc3)oc3c(C)cccc3c2=O)c1.
What is the InChIKey of 4-fluoro-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide?
The InChIKey is NZMYNLWAFGHMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO3/c1-14-5-3-7-17(13-14)20-21(27)19-8-4-6-15(2)22(19)29-24(20)26-23(28)16-9-11-18(25)12-10-16/h3-13H,1-2H3,(H,26,28).
What are the key properties of 4-fluoro-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide?
4-fluoro-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide has a molecular weight of 387.41 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide is sourced from PubChem (CID 7463129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).