N-[4-bromo-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide

C17H15BrF3NO — CID 2421792

IUPACN-[4-bromo-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C17H15BrF3NO/c1-9-6-10(2)15(11(3)7-9)16(23)22-12-4-5-14(18)13(8-12)17(19,20)21/h4-8H,1-3H3,(H,22,23)
InChIKeyAQKGMHKALMBSDU-UHFFFAOYSA-N
MW386.21 g/mol
LogP5.65
Rot. Bonds2

About N-[4-bromo-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide

N-[4-bromo-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide (PubChem CID 2421792) has the molecular formula C17H15BrF3NO and a molecular weight of 386.21 g/mol. Its IUPAC name is N-[4-bromo-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-[4-bromo-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide
PubChem CID2421792
Molecular FormulaC17H15BrF3NO
Molecular Weight386.21 g/mol
Exact Mass385.03
IUPAC NameN-[4-bromo-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C17H15BrF3NO/c1-9-6-10(2)15(11(3)7-9)16(23)22-12-4-5-14(18)13(8-12)17(19,20)21/h4-8H,1-3H3,(H,22,23)
InChIKeyAQKGMHKALMBSDU-UHFFFAOYSA-N
XLogP5.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.21
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[4-bromo-3-(trifluoromethyl)phenyl]-2,4,6-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-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide
CID 17168215
4-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]benzamide
CID 2579701
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 1095073
2,3,4,5-tetrabromo-6-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 88887337
4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 78906787
methyl 2-[4-bromo-3-(trifluoromethyl)anilino]-2-oxoacetate
CID 112617350
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methylbut-2-enamide
CID 42997959
2-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-ethylbutanamide
CID 79809856
N-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 8919733
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-iodobenzamide
CID 60630150
N-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enamide
CID 13411359
N-(3-bromo-5-methylphenyl)-2,4,6-trimethylbenzamide
CID 84542762

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide?
The IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide (CID 2421792) is N-[4-bromo-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-[4-bromo-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide?
The canonical SMILES for N-[4-bromo-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c(C)c1.
What is the InChIKey of N-[4-bromo-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide?
The InChIKey is AQKGMHKALMBSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF3NO/c1-9-6-10(2)15(11(3)7-9)16(23)22-12-4-5-14(18)13(8-12)17(19,20)21/h4-8H,1-3H3,(H,22,23).
What are the key properties of N-[4-bromo-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide?
N-[4-bromo-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide has a molecular weight of 386.21 g/mol, XLogP of 5.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide is sourced from PubChem (CID 2421792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).