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

C24H18BrNO3 — CID 16957116

IUPAC3-bromo-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide
SMILESCc1cccc(-c2c(NC(=O)c3cccc(Br)c3)oc3c(C)cccc3c2=O)c1
InChIInChI=1S/C24H18BrNO3/c1-14-6-3-8-16(12-14)20-21(27)19-11-4-7-15(2)22(19)29-24(20)26-23(28)17-9-5-10-18(25)13-17/h3-13H,1-2H3,(H,26,28)
InChIKeyULPZDFMTLRZFHS-UHFFFAOYSA-N
MW448.32 g/mol
LogP6.09
Rot. Bonds3

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

3-bromo-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide (PubChem CID 16957116) has the molecular formula C24H18BrNO3 and a molecular weight of 448.32 g/mol. Its IUPAC name is 3-bromo-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide
PubChem CID16957116
Molecular FormulaC24H18BrNO3
Molecular Weight448.32 g/mol
Exact Mass447.05
IUPAC Name3-bromo-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide
SMILESCc1cccc(-c2c(NC(=O)c3cccc(Br)c3)oc3c(C)cccc3c2=O)c1
InChIInChI=1S/C24H18BrNO3/c1-14-6-3-8-16(12-14)20-21(27)19-11-4-7-15(2)22(19)29-24(20)26-23(28)17-9-5-10-18(25)13-17/h3-13H,1-2H3,(H,26,28)
InChIKeyULPZDFMTLRZFHS-UHFFFAOYSA-N
XLogP6.09
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.32
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide
CID 7463129
N-[3-(4-methoxyphenyl)-8-methyl-4-oxochromen-2-yl]-3-nitrobenzamide
CID 16957094
N-[3-(4-bromophenyl)-4-oxochromen-2-yl]benzamide
CID 4900984
N-[3-(3,4-dimethoxyphenyl)-8-methyl-4-oxochromen-2-yl]pentanamide
CID 7693344
N-[6-chloro-3-(3-methylphenyl)-4-oxochromen-2-yl]-4-methoxybenzamide
CID 4898812
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43976122
N-[3-(3-chlorophenyl)-4-oxochromen-2-yl]benzamide
CID 4910374
N-[1-methyl-3-(3-methylphenyl)-4-oxoquinolin-2-yl]-3-nitrobenzamide
CID 4907437
3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4586964
N-(4-bromophenyl)-8-methyl-4-oxochromene-2-carboxamide
CID 19118994
3-bromo-N-(4,7-dimethyl-2-oxochromen-6-yl)benzamide
CID 1234118
3-bromo-N-(3-bromo-5-methylphenyl)benzamide
CID 107583869

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide?
The IUPAC name of 3-bromo-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide (CID 16957116) is 3-bromo-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide.
What is the SMILES notation for 3-bromo-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide?
The canonical SMILES for 3-bromo-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide is Cc1cccc(-c2c(NC(=O)c3cccc(Br)c3)oc3c(C)cccc3c2=O)c1.
What is the InChIKey of 3-bromo-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide?
The InChIKey is ULPZDFMTLRZFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrNO3/c1-14-6-3-8-16(12-14)20-21(27)19-11-4-7-15(2)22(19)29-24(20)26-23(28)17-9-5-10-18(25)13-17/h3-13H,1-2H3,(H,26,28).
What are the key properties of 3-bromo-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide?
3-bromo-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide has a molecular weight of 448.32 g/mol, XLogP of 6.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[8-methyl-3-(3-methylphenyl)-4-oxochromen-2-yl]benzamide is sourced from PubChem (CID 16957116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).