N-(2-benzoyl-4-bromophenyl)-2-(2,4-dimethylphenyl)acetamide

C23H20BrNO2 — CID 41099780

IUPACN-(2-benzoyl-4-bromophenyl)-2-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C23H20BrNO2/c1-15-8-9-18(16(2)12-15)13-22(26)25-21-11-10-19(24)14-20(21)23(27)17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H,25,26)
InChIKeyPOSGFMCBKNWOIN-UHFFFAOYSA-N
MW422.32 g/mol
LogP5.48
Rot. Bonds5

About N-(2-benzoyl-4-bromophenyl)-2-(2,4-dimethylphenyl)acetamide

N-(2-benzoyl-4-bromophenyl)-2-(2,4-dimethylphenyl)acetamide (PubChem CID 41099780) has the molecular formula C23H20BrNO2 and a molecular weight of 422.32 g/mol. Its IUPAC name is N-(2-benzoyl-4-bromophenyl)-2-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-bromophenyl)-2-(2,4-dimethylphenyl)acetamide
PubChem CID41099780
Molecular FormulaC23H20BrNO2
Molecular Weight422.32 g/mol
Exact Mass421.07
IUPAC NameN-(2-benzoyl-4-bromophenyl)-2-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C23H20BrNO2/c1-15-8-9-18(16(2)12-15)13-22(26)25-21-11-10-19(24)14-20(21)23(27)17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H,25,26)
InChIKeyPOSGFMCBKNWOIN-UHFFFAOYSA-N
XLogP5.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.32
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-benzoyl-4-bromophenyl)-2-methoxyacetamide
CID 166884610
2-(2,4-dimethylphenyl)-N-(2-methylphenyl)acetamide
CID 100747569
2-(4-bromophenyl)-N-(2,4-dimethylphenyl)acetamide
CID 2600129
methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]benzoate
CID 100583620
N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-chlorobenzamide
CID 1104902
N-(2-benzoyl-4-methylphenyl)-2-(4-ethoxyphenyl)acetamide
CID 8719623
(2-benzoyl-4-bromophenyl)thiourea
CID 169360025
N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]benzamide
CID 10297535
N-[2-benzoyl-4-[[2-(3-methylphenyl)acetyl]amino]phenyl]-2-(4-methylphenyl)acetamide
CID 11236897
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 1019246
N-(2-benzoyl-4-methylphenyl)-2-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]benzamide
CID 16828774
N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylacetamide
CID 1360092

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-bromophenyl)-2-(2,4-dimethylphenyl)acetamide?
The IUPAC name of N-(2-benzoyl-4-bromophenyl)-2-(2,4-dimethylphenyl)acetamide (CID 41099780) is N-(2-benzoyl-4-bromophenyl)-2-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-(2-benzoyl-4-bromophenyl)-2-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for N-(2-benzoyl-4-bromophenyl)-2-(2,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)c(C)c1.
What is the InChIKey of N-(2-benzoyl-4-bromophenyl)-2-(2,4-dimethylphenyl)acetamide?
The InChIKey is POSGFMCBKNWOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrNO2/c1-15-8-9-18(16(2)12-15)13-22(26)25-21-11-10-19(24)14-20(21)23(27)17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H,25,26).
What are the key properties of N-(2-benzoyl-4-bromophenyl)-2-(2,4-dimethylphenyl)acetamide?
N-(2-benzoyl-4-bromophenyl)-2-(2,4-dimethylphenyl)acetamide has a molecular weight of 422.32 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-bromophenyl)-2-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 41099780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).