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

C10H10BrF2NO — CID 115611577

IUPAC4-bromo-N-(2,2-difluoroethyl)-N-methylbenzamide
SMILESCN(CC(F)F)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H10BrF2NO/c1-14(6-9(12)13)10(15)7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3
InChIKeyBODFPQMOTZFMDK-UHFFFAOYSA-N
MW278.10 g/mol
LogP2.79
Rot. Bonds3

About 4-bromo-N-(2,2-difluoroethyl)-N-methylbenzamide

4-bromo-N-(2,2-difluoroethyl)-N-methylbenzamide (PubChem CID 115611577) has the molecular formula C10H10BrF2NO and a molecular weight of 278.10 g/mol. Its IUPAC name is 4-bromo-N-(2,2-difluoroethyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(2,2-difluoroethyl)-N-methylbenzamide
PubChem CID115611577
Molecular FormulaC10H10BrF2NO
Molecular Weight278.10 g/mol
Exact Mass276.99
IUPAC Name4-bromo-N-(2,2-difluoroethyl)-N-methylbenzamide
SMILESCN(CC(F)F)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C10H10BrF2NO/c1-14(6-9(12)13)10(15)7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3
InChIKeyBODFPQMOTZFMDK-UHFFFAOYSA-N
XLogP2.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.10
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[(2S)-2-hydroxypropyl]-N-methylbenzamide
CID 146272515
4-bromo-N-(2-chloropropyl)-N-methylbenzamide
CID 63393521
4-bromo-N-[2-[2,2-difluoroethyl(methyl)amino]-2-oxoethyl]benzamide
CID 99699977
4-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylbenzamide;hydrochloride
CID 119305712
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-bromo-N-methylbenzamide
CID 54991938
N-benzyl-4-bromo-N-methylbenzamide
CID 751372
4-bromo-N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-N-methylbenzamide
CID 3737830
N-(2,2-difluoroethyl)-N-methyl-1H-indole-6-carboxamide
CID 113231691
4-bromo-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 78924767
4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630849
4-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47230441
4-bromo-N-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-N-methylbenzamide
CID 7318127

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,2-difluoroethyl)-N-methylbenzamide?
The IUPAC name of 4-bromo-N-(2,2-difluoroethyl)-N-methylbenzamide (CID 115611577) is 4-bromo-N-(2,2-difluoroethyl)-N-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(2,2-difluoroethyl)-N-methylbenzamide?
The canonical SMILES for 4-bromo-N-(2,2-difluoroethyl)-N-methylbenzamide is CN(CC(F)F)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2,2-difluoroethyl)-N-methylbenzamide?
The InChIKey is BODFPQMOTZFMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO/c1-14(6-9(12)13)10(15)7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3.
What are the key properties of 4-bromo-N-(2,2-difluoroethyl)-N-methylbenzamide?
4-bromo-N-(2,2-difluoroethyl)-N-methylbenzamide has a molecular weight of 278.10 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,2-difluoroethyl)-N-methylbenzamide is sourced from PubChem (CID 115611577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).