2-bromo-N-(4-chloro-2-fluorophenyl)-5-methylbenzamide

C14H10BrClFNO — CID 80948575

IUPAC2-bromo-N-(4-chloro-2-fluorophenyl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2ccc(Cl)cc2F)c1
InChIInChI=1S/C14H10BrClFNO/c1-8-2-4-11(15)10(6-8)14(19)18-13-5-3-9(16)7-12(13)17/h2-7H,1H3,(H,18,19)
InChIKeyCZICUULGXOLTPJ-UHFFFAOYSA-N
MW342.60 g/mol
LogP4.80
Rot. Bonds2

About 2-bromo-N-(4-chloro-2-fluorophenyl)-5-methylbenzamide

2-bromo-N-(4-chloro-2-fluorophenyl)-5-methylbenzamide (PubChem CID 80948575) has the molecular formula C14H10BrClFNO and a molecular weight of 342.60 g/mol. Its IUPAC name is 2-bromo-N-(4-chloro-2-fluorophenyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(4-chloro-2-fluorophenyl)-5-methylbenzamide
PubChem CID80948575
Molecular FormulaC14H10BrClFNO
Molecular Weight342.60 g/mol
Exact Mass340.96
IUPAC Name2-bromo-N-(4-chloro-2-fluorophenyl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2ccc(Cl)cc2F)c1
InChIInChI=1S/C14H10BrClFNO/c1-8-2-4-11(15)10(6-8)14(19)18-13-5-3-9(16)7-12(13)17/h2-7H,1H3,(H,18,19)
InChIKeyCZICUULGXOLTPJ-UHFFFAOYSA-N
XLogP4.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-bromo-N-(4-chloro-2-fluorophenyl)-5-methylbenzamide 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-2-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 55083427
2-bromo-N-(2-bromo-5-chlorophenyl)-5-methylbenzamide
CID 81270262
N-(2-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81109928
2,5-dibromo-N-(4-chloro-2-fluorophenyl)benzamide
CID 114370697
2-bromo-N-(2-carbamothioyl-5-chlorophenyl)-5-methylbenzamide
CID 81110952
2-bromo-N-(3-fluoro-2-methylphenyl)-5-methylbenzamide
CID 81002497
2-amino-N-(2-bromo-4-chlorophenyl)-5-methylbenzamide
CID 81262086
3-bromo-4-chloro-N-(2-fluoro-4-methylphenyl)benzamide
CID 103841501
N-(5-chloro-2-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 79770803
2-bromo-N-(3,5-dichlorophenyl)-5-methylbenzamide
CID 81110211
2,3-difluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 62648850
N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide
CID 81028266

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-chloro-2-fluorophenyl)-5-methylbenzamide?
The IUPAC name of 2-bromo-N-(4-chloro-2-fluorophenyl)-5-methylbenzamide (CID 80948575) is 2-bromo-N-(4-chloro-2-fluorophenyl)-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(4-chloro-2-fluorophenyl)-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-(4-chloro-2-fluorophenyl)-5-methylbenzamide is Cc1ccc(Br)c(C(=O)Nc2ccc(Cl)cc2F)c1.
What is the InChIKey of 2-bromo-N-(4-chloro-2-fluorophenyl)-5-methylbenzamide?
The InChIKey is CZICUULGXOLTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO/c1-8-2-4-11(15)10(6-8)14(19)18-13-5-3-9(16)7-12(13)17/h2-7H,1H3,(H,18,19).
What are the key properties of 2-bromo-N-(4-chloro-2-fluorophenyl)-5-methylbenzamide?
2-bromo-N-(4-chloro-2-fluorophenyl)-5-methylbenzamide has a molecular weight of 342.60 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-chloro-2-fluorophenyl)-5-methylbenzamide is sourced from PubChem (CID 80948575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).