5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide

C10H10BrF2NO — CID 79078701

IUPAC5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NCC(F)F
InChIInChI=1S/C10H10BrF2NO/c1-6-2-3-7(11)4-8(6)10(15)14-5-9(12)13/h2-4,9H,5H2,1H3,(H,14,15)
InChIKeyPCYLLIQDNHLLCG-UHFFFAOYSA-N
MW278.10 g/mol
LogP2.75
Rot. Bonds3

About 5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide

5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide (PubChem CID 79078701) has the molecular formula C10H10BrF2NO and a molecular weight of 278.10 g/mol. Its IUPAC name is 5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide
PubChem CID79078701
Molecular FormulaC10H10BrF2NO
Molecular Weight278.10 g/mol
Exact Mass276.99
IUPAC Name5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NCC(F)F
InChIInChI=1S/C10H10BrF2NO/c1-6-2-3-7(11)4-8(6)10(15)14-5-9(12)13/h2-4,9H,5H2,1H3,(H,14,15)
InChIKeyPCYLLIQDNHLLCG-UHFFFAOYSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.10
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-bromo-N-(2,2-difluoroethyl)-2-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

5-bromo-2-methyl-N-(2-methylpropyl)benzamide
CID 65308117
5-bromo-2-chloro-N-(2,2-difluoroethyl)benzamide
CID 79079697
N-(2-amino-3-methylbutyl)-5-bromo-2-methylbenzamide
CID 65311918
5-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide
CID 114316915
4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide
CID 79080028
5-bromo-N-(2-ethoxypropyl)-2-methylbenzamide
CID 115648997
N-(2,2-difluoroethyl)-2-methyl-5-sulfamoylbenzamide
CID 79079912
5-bromo-N-(2-cyclopentyl-2-hydroxyethyl)-2-methylbenzamide
CID 111477730
5-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylbenzamide
CID 103725574
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500891
5-bromo-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 65306886
2-bromo-N-(2,2-difluoroethyl)-5-methylbenzamide
CID 81002658

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide?
The IUPAC name of 5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide (CID 79078701) is 5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)NCC(F)F.
What is the InChIKey of 5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide?
The InChIKey is PCYLLIQDNHLLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO/c1-6-2-3-7(11)4-8(6)10(15)14-5-9(12)13/h2-4,9H,5H2,1H3,(H,14,15).
What are the key properties of 5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide?
5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide has a molecular weight of 278.10 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide is sourced from PubChem (CID 79078701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).