N-(4-bromo-2-methylphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide

C25H20BrNO3 — CID 108799914

IUPACN-(4-bromo-2-methylphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
SMILESCc1cc(C)c2oc(-c3ccc(C(=O)Nc4ccc(Br)cc4C)cc3)cc(=O)c2c1
InChIInChI=1S/C25H20BrNO3/c1-14-10-16(3)24-20(11-14)22(28)13-23(30-24)17-4-6-18(7-5-17)25(29)27-21-9-8-19(26)12-15(21)2/h4-13H,1-3H3,(H,27,29)
InChIKeyLOXAVGCIXCAULU-UHFFFAOYSA-N
MW462.34 g/mol
LogP6.40
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide

N-(4-bromo-2-methylphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide (PubChem CID 108799914) has the molecular formula C25H20BrNO3 and a molecular weight of 462.34 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
PubChem CID108799914
Molecular FormulaC25H20BrNO3
Molecular Weight462.34 g/mol
Exact Mass461.06
IUPAC NameN-(4-bromo-2-methylphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
SMILESCc1cc(C)c2oc(-c3ccc(C(=O)Nc4ccc(Br)cc4C)cc3)cc(=O)c2c1
InChIInChI=1S/C25H20BrNO3/c1-14-10-16(3)24-20(11-14)22(28)13-23(30-24)17-4-6-18(7-5-17)25(29)27-21-9-8-19(26)12-15(21)2/h4-13H,1-3H3,(H,27,29)
InChIKeyLOXAVGCIXCAULU-UHFFFAOYSA-N
XLogP6.40
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.34
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108786947
N-(3-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787110
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(2,3-dimethylphenyl)benzamide
CID 108787032
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-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108799981
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 108799991
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 108800008
N-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803001
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 108800017
N-[4-(diethylamino)butyl]-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787093

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide (CID 108799914) is N-(4-bromo-2-methylphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide is Cc1cc(C)c2oc(-c3ccc(C(=O)Nc4ccc(Br)cc4C)cc3)cc(=O)c2c1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide?
The InChIKey is LOXAVGCIXCAULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrNO3/c1-14-10-16(3)24-20(11-14)22(28)13-23(30-24)17-4-6-18(7-5-17)25(29)27-21-9-8-19(26)12-15(21)2/h4-13H,1-3H3,(H,27,29).
What are the key properties of N-(4-bromo-2-methylphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide?
N-(4-bromo-2-methylphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide has a molecular weight of 462.34 g/mol, XLogP of 6.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide is sourced from PubChem (CID 108799914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).