N-(2-benzoyl-4-chlorophenyl)-5-bromo-2,3,4-trimethylbenzamide

C23H19BrClNO2 — CID 3500532

IUPACN-(2-benzoyl-4-chlorophenyl)-5-bromo-2,3,4-trimethylbenzamide
SMILESCc1c(Br)cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(C)c1C
InChIInChI=1S/C23H19BrClNO2/c1-13-14(2)18(12-20(24)15(13)3)23(28)26-21-10-9-17(25)11-19(21)22(27)16-7-5-4-6-8-16/h4-12H,1-3H3,(H,26,28)
InChIKeyJSPSYNOJNDIVHC-UHFFFAOYSA-N
MW456.77 g/mol
LogP6.51
Rot. Bonds4

About N-(2-benzoyl-4-chlorophenyl)-5-bromo-2,3,4-trimethylbenzamide

N-(2-benzoyl-4-chlorophenyl)-5-bromo-2,3,4-trimethylbenzamide (PubChem CID 3500532) has the molecular formula C23H19BrClNO2 and a molecular weight of 456.77 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-5-bromo-2,3,4-trimethylbenzamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-5-bromo-2,3,4-trimethylbenzamide
PubChem CID3500532
Molecular FormulaC23H19BrClNO2
Molecular Weight456.77 g/mol
Exact Mass455.03
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-5-bromo-2,3,4-trimethylbenzamide
SMILESCc1c(Br)cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(C)c1C
InChIInChI=1S/C23H19BrClNO2/c1-13-14(2)18(12-20(24)15(13)3)23(28)26-21-10-9-17(25)11-19(21)22(27)16-7-5-4-6-8-16/h4-12H,1-3H3,(H,26,28)
InChIKeyJSPSYNOJNDIVHC-UHFFFAOYSA-N
XLogP6.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.77
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-benzoyl-4-chlorophenyl)-5-bromo-2,3,4-trimethylbenzamide 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

N-(2-benzoyl-4-methylphenyl)-2,5-dichlorobenzamide
CID 23879994
N-(2-benzoyl-4-bromophenyl)-5-chloro-2-methoxybenzamide
CID 4546153
3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide
CID 17226391
N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide
CID 2295317
N-(2-benzoyl-4-chlorophenyl)-4-bromo-1-methylpyrazole-5-carboxamide
CID 19474995
N-(2-benzoyl-4-chlorophenyl)-4-(dimethylamino)benzamide
CID 3539532
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2,4-dichlorobenzamide
CID 2342128
N-(2-benzoyl-4-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30402995
N-(2-benzoyl-4-chlorophenyl)-3,5-dichloro-4-methoxybenzamide
CID 4512455
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
N-(2-benzoyl-4-chlorophenyl)-4-ethylsulfanylbenzamide
CID 41044373
N-(2-benzoyl-4-chlorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281510

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-5-bromo-2,3,4-trimethylbenzamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-5-bromo-2,3,4-trimethylbenzamide (CID 3500532) is N-(2-benzoyl-4-chlorophenyl)-5-bromo-2,3,4-trimethylbenzamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-5-bromo-2,3,4-trimethylbenzamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-5-bromo-2,3,4-trimethylbenzamide is Cc1c(Br)cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(C)c1C.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-5-bromo-2,3,4-trimethylbenzamide?
The InChIKey is JSPSYNOJNDIVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrClNO2/c1-13-14(2)18(12-20(24)15(13)3)23(28)26-21-10-9-17(25)11-19(21)22(27)16-7-5-4-6-8-16/h4-12H,1-3H3,(H,26,28).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-5-bromo-2,3,4-trimethylbenzamide?
N-(2-benzoyl-4-chlorophenyl)-5-bromo-2,3,4-trimethylbenzamide has a molecular weight of 456.77 g/mol, XLogP of 6.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-5-bromo-2,3,4-trimethylbenzamide is sourced from PubChem (CID 3500532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).