2-bromo-N-(2,2-difluoroethyl)-6-methylbenzamide

C10H10BrF2NO — CID 130774849

IUPAC2-bromo-N-(2,2-difluoroethyl)-6-methylbenzamide
SMILESCc1cccc(Br)c1C(=O)NCC(F)F
InChIInChI=1S/C10H10BrF2NO/c1-6-3-2-4-7(11)9(6)10(15)14-5-8(12)13/h2-4,8H,5H2,1H3,(H,14,15)
InChIKeyOZDRSVVAGMDEQB-UHFFFAOYSA-N
MW278.10 g/mol
LogP2.75
Rot. Bonds3

About 2-bromo-N-(2,2-difluoroethyl)-6-methylbenzamide

2-bromo-N-(2,2-difluoroethyl)-6-methylbenzamide (PubChem CID 130774849) has the molecular formula C10H10BrF2NO and a molecular weight of 278.10 g/mol. Its IUPAC name is 2-bromo-N-(2,2-difluoroethyl)-6-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(2,2-difluoroethyl)-6-methylbenzamide
PubChem CID130774849
Molecular FormulaC10H10BrF2NO
Molecular Weight278.10 g/mol
Exact Mass276.99
IUPAC Name2-bromo-N-(2,2-difluoroethyl)-6-methylbenzamide
SMILESCc1cccc(Br)c1C(=O)NCC(F)F
InChIInChI=1S/C10H10BrF2NO/c1-6-3-2-4-7(11)9(6)10(15)14-5-8(12)13/h2-4,8H,5H2,1H3,(H,14,15)
InChIKeyOZDRSVVAGMDEQB-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

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Related Compounds

2-bromo-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide
CID 130618692
2-bromo-N',N',6-trimethylbenzohydrazide
CID 126989510
N-(2-ethylbutyl)-2,6-dimethylbenzamide
CID 103714285
N-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide
CID 104917965
2-bromo-N-(2,2-difluoroethyl)-5-methylbenzamide
CID 81002658
5-bromo-N-(2,2-difluoroethyl)-2-methylbenzamide
CID 79078701
2-(2,2-difluoroethylcarbamoylamino)-6-methylbenzoic acid
CID 113303927
N-(3-amino-2-hydroxy-3-oxopropyl)-2,6-dimethylbenzamide
CID 114152583
2-bromo-6-fluoro-N-(2-phenylpropyl)benzamide
CID 115678208
N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzamide
CID 103770620
4-bromo-N-(2,2-difluoroethyl)benzamide
CID 79079579
1-(2-bromo-6-methylphenyl)-2-chloroethanone
CID 130742601

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,2-difluoroethyl)-6-methylbenzamide?
The IUPAC name of 2-bromo-N-(2,2-difluoroethyl)-6-methylbenzamide (CID 130774849) is 2-bromo-N-(2,2-difluoroethyl)-6-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(2,2-difluoroethyl)-6-methylbenzamide?
The canonical SMILES for 2-bromo-N-(2,2-difluoroethyl)-6-methylbenzamide is Cc1cccc(Br)c1C(=O)NCC(F)F.
What is the InChIKey of 2-bromo-N-(2,2-difluoroethyl)-6-methylbenzamide?
The InChIKey is OZDRSVVAGMDEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO/c1-6-3-2-4-7(11)9(6)10(15)14-5-8(12)13/h2-4,8H,5H2,1H3,(H,14,15).
What are the key properties of 2-bromo-N-(2,2-difluoroethyl)-6-methylbenzamide?
2-bromo-N-(2,2-difluoroethyl)-6-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 2-bromo-N-(2,2-difluoroethyl)-6-methylbenzamide is sourced from PubChem (CID 130774849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).