3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide

C15H13BrFNO — CID 106543986

IUPAC3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide
SMILESCc1ccc(NC(=O)c2cccc(Br)c2F)c(C)c1
InChIInChI=1S/C15H13BrFNO/c1-9-6-7-13(10(2)8-9)18-15(19)11-4-3-5-12(16)14(11)17/h3-8H,1-2H3,(H,18,19)
InChIKeyKZTDTAOGODHGTQ-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.46
Rot. Bonds2

About 3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide

3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide (PubChem CID 106543986) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is 3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide
PubChem CID106543986
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide
SMILESCc1ccc(NC(=O)c2cccc(Br)c2F)c(C)c1
InChIInChI=1S/C15H13BrFNO/c1-9-6-7-13(10(2)8-9)18-15(19)11-4-3-5-12(16)14(11)17/h3-8H,1-2H3,(H,18,19)
InChIKeyKZTDTAOGODHGTQ-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide 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

3-bromo-N-(4-carbamoyl-2-methylphenyl)-2-fluorobenzamide
CID 106544246
3-bromo-N-[4-(dimethylamino)-2-methylphenyl]-2-fluorobenzamide
CID 106544263
3-bromo-N-(2-chloro-5-methylphenyl)-2-fluorobenzamide
CID 106547569
2-bromo-N-(2,4-dimethylphenyl)-6-fluorobenzamide
CID 113250689
N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 579639
N-(2-bromo-4-methylphenyl)-3-chloro-2-fluorobenzamide
CID 81004240
3-bromo-2-fluoro-N-(3-fluoro-2-methylphenyl)benzamide
CID 106544652
3-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-fluorobenzamide
CID 106545347
2,3-difluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 62648850
3-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 106544474
2-amino-N-(2,4-dimethylphenyl)benzamide;hydrochloride
CID 170900117
3-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-fluorobenzamide
CID 107953841

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide?
The IUPAC name of 3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide (CID 106543986) is 3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide is Cc1ccc(NC(=O)c2cccc(Br)c2F)c(C)c1.
What is the InChIKey of 3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide?
The InChIKey is KZTDTAOGODHGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-9-6-7-13(10(2)8-9)18-15(19)11-4-3-5-12(16)14(11)17/h3-8H,1-2H3,(H,18,19).
What are the key properties of 3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide?
3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide has a molecular weight of 322.18 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,4-dimethylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 106543986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).