N-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide

C24H18BrNO3 — CID 108803001

IUPACN-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3cc(=O)c4cc(C)ccc4o3)cc2)c(Br)c1
InChIInChI=1S/C24H18BrNO3/c1-14-4-10-22-18(11-14)21(27)13-23(29-22)16-5-7-17(8-6-16)24(28)26-20-9-3-15(2)12-19(20)25/h3-13H,1-2H3,(H,26,28)
InChIKeyYDJKWVUQLHOUJB-UHFFFAOYSA-N
MW448.32 g/mol
LogP6.09
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide

N-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide (PubChem CID 108803001) has the molecular formula C24H18BrNO3 and a molecular weight of 448.32 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
PubChem CID108803001
Molecular FormulaC24H18BrNO3
Molecular Weight448.32 g/mol
Exact Mass447.05
IUPAC NameN-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3cc(=O)c4cc(C)ccc4o3)cc2)c(Br)c1
InChIInChI=1S/C24H18BrNO3/c1-14-4-10-22-18(11-14)21(27)13-23(29-22)16-5-7-17(8-6-16)24(28)26-20-9-3-15(2)12-19(20)25/h3-13H,1-2H3,(H,26,28)
InChIKeyYDJKWVUQLHOUJB-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

Analyze N-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
CID 108790164
4-(6-methyl-4-oxochromen-2-yl)-N-(2,3,4-trifluorophenyl)benzamide
CID 108803013
N-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803154
N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790363
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-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790358
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803042
4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-pyridinyl)benzamide
CID 108803125
N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790282
4-(6-methyl-4-oxochromen-2-yl)-N-quinolin-8-ylbenzamide
CID 108790350
N-(2-hydroxyethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803168

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide (CID 108803001) is N-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide is Cc1ccc(NC(=O)c2ccc(-c3cc(=O)c4cc(C)ccc4o3)cc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The InChIKey is YDJKWVUQLHOUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrNO3/c1-14-4-10-22-18(11-14)21(27)13-23(29-22)16-5-7-17(8-6-16)24(28)26-20-9-3-15(2)12-19(20)25/h3-13H,1-2H3,(H,26,28).
What are the key properties of N-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
N-(2-bromo-4-methylphenyl)-4-(6-methyl-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 N-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide is sourced from PubChem (CID 108803001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).