N-(3-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide

C24H18BrNO3 — CID 108787110

IUPACN-(3-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
SMILESCc1cc(C)c2oc(-c3ccc(C(=O)Nc4cccc(Br)c4)cc3)cc(=O)c2c1
InChIInChI=1S/C24H18BrNO3/c1-14-10-15(2)23-20(11-14)21(27)13-22(29-23)16-6-8-17(9-7-16)24(28)26-19-5-3-4-18(25)12-19/h3-13H,1-2H3,(H,26,28)
InChIKeySIOWBDDHKYLJCL-UHFFFAOYSA-N
MW448.32 g/mol
LogP6.09
Rot. Bonds3

About N-(3-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide

N-(3-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide (PubChem CID 108787110) has the molecular formula C24H18BrNO3 and a molecular weight of 448.32 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
PubChem CID108787110
Molecular FormulaC24H18BrNO3
Molecular Weight448.32 g/mol
Exact Mass447.05
IUPAC NameN-(3-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
SMILESCc1cc(C)c2oc(-c3ccc(C(=O)Nc4cccc(Br)c4)cc3)cc(=O)c2c1
InChIInChI=1S/C24H18BrNO3/c1-14-10-15(2)23-20(11-14)21(27)13-22(29-23)16-6-8-17(9-7-16)24(28)26-19-5-3-4-18(25)12-19/h3-13H,1-2H3,(H,26,28)
InChIKeySIOWBDDHKYLJCL-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

N-(4-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108786947
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(2,3-dimethylphenyl)benzamide
CID 108787032
N-(2,6-difluorophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787054
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-tert-butyl-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787059
N-(2,4-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108799946
N-(4-chloro-2,5-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787133
propan-2-yl 2-[[4-(6,8-dimethyl-4-oxochromen-2-yl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108787096
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

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide?
The IUPAC name of N-(3-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide (CID 108787110) is N-(3-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide.
What is the SMILES notation for N-(3-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide?
The canonical SMILES for N-(3-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide is Cc1cc(C)c2oc(-c3ccc(C(=O)Nc4cccc(Br)c4)cc3)cc(=O)c2c1.
What is the InChIKey of N-(3-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide?
The InChIKey is SIOWBDDHKYLJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrNO3/c1-14-10-15(2)23-20(11-14)21(27)13-22(29-23)16-6-8-17(9-7-16)24(28)26-19-5-3-4-18(25)12-19/h3-13H,1-2H3,(H,26,28).
What are the key properties of N-(3-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide?
N-(3-bromophenyl)-4-(6,8-dimethyl-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-(3-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide is sourced from PubChem (CID 108787110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).