4-bromo-2-(difluoromethoxy)-N-methylbenzamide

C9H8BrF2NO2 — CID 170995658

IUPAC4-bromo-2-(difluoromethoxy)-N-methylbenzamide
SMILESCNC(=O)c1ccc(Br)cc1OC(F)F
InChIInChI=1S/C9H8BrF2NO2/c1-13-8(14)6-3-2-5(10)4-7(6)15-9(11)12/h2-4,9H,1H3,(H,13,14)
InChIKeyVEKFKRXSHKSBLD-UHFFFAOYSA-N
MW280.07 g/mol
LogP2.41
Rot. Bonds3

About 4-bromo-2-(difluoromethoxy)-N-methylbenzamide

4-bromo-2-(difluoromethoxy)-N-methylbenzamide (PubChem CID 170995658) has the molecular formula C9H8BrF2NO2 and a molecular weight of 280.07 g/mol. Its IUPAC name is 4-bromo-2-(difluoromethoxy)-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-2-(difluoromethoxy)-N-methylbenzamide
PubChem CID170995658
Molecular FormulaC9H8BrF2NO2
Molecular Weight280.07 g/mol
Exact Mass278.97
IUPAC Name4-bromo-2-(difluoromethoxy)-N-methylbenzamide
SMILESCNC(=O)c1ccc(Br)cc1OC(F)F
InChIInChI=1S/C9H8BrF2NO2/c1-13-8(14)6-3-2-5(10)4-7(6)15-9(11)12/h2-4,9H,1H3,(H,13,14)
InChIKeyVEKFKRXSHKSBLD-UHFFFAOYSA-N
XLogP2.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.07
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2-(difluoromethoxy)-N-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-(difluoromethoxy)-N-methylbenzamide
CID 59703438
2,4-dibromo-N-methylbenzamide
CID 54214948
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
1-[4-bromo-2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethanone;2,2,2-trifluoro-1-(4-hydroxyphenyl)ethanone
CID 160918607
4-bromo-N-methyl-2-propan-2-ylbenzamide
CID 146035002
tert-butyl 4-[[4-bromo-2-(difluoromethoxy)benzoyl]amino]piperidine-1-carboxylate
CID 170995670
4-bromo-2-(difluoromethoxy)-1-methylbenzene
CID 45158712
4-bromo-2-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 78987486
N-(4-bromo-2-fluorophenyl)-2-(difluoromethoxy)benzamide
CID 26362983
N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-propan-2-yloxybenzamide
CID 120504701
4-(difluoromethoxy)-3-fluoro-N-methylbenzamide
CID 126769270
[4-bromo-2-(difluoromethoxy)phenyl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 171037100

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(difluoromethoxy)-N-methylbenzamide?
The IUPAC name of 4-bromo-2-(difluoromethoxy)-N-methylbenzamide (CID 170995658) is 4-bromo-2-(difluoromethoxy)-N-methylbenzamide.
What is the SMILES notation for 4-bromo-2-(difluoromethoxy)-N-methylbenzamide?
The canonical SMILES for 4-bromo-2-(difluoromethoxy)-N-methylbenzamide is CNC(=O)c1ccc(Br)cc1OC(F)F.
What is the InChIKey of 4-bromo-2-(difluoromethoxy)-N-methylbenzamide?
The InChIKey is VEKFKRXSHKSBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NO2/c1-13-8(14)6-3-2-5(10)4-7(6)15-9(11)12/h2-4,9H,1H3,(H,13,14).
What are the key properties of 4-bromo-2-(difluoromethoxy)-N-methylbenzamide?
4-bromo-2-(difluoromethoxy)-N-methylbenzamide has a molecular weight of 280.07 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(difluoromethoxy)-N-methylbenzamide is sourced from PubChem (CID 170995658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).