2-bromo-6-fluoro-N-methyl-N-phenylbenzamide

C14H11BrFNO — CID 115678224

IUPAC2-bromo-6-fluoro-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1c(F)cccc1Br)c1ccccc1
InChIInChI=1S/C14H11BrFNO/c1-17(10-6-3-2-4-7-10)14(18)13-11(15)8-5-9-12(13)16/h2-9H,1H3
InChIKeyYQFGMBVRFFIOSS-UHFFFAOYSA-N
MW308.15 g/mol
LogP3.86
Rot. Bonds2

About 2-bromo-6-fluoro-N-methyl-N-phenylbenzamide

2-bromo-6-fluoro-N-methyl-N-phenylbenzamide (PubChem CID 115678224) has the molecular formula C14H11BrFNO and a molecular weight of 308.15 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-methyl-N-phenylbenzamide
PubChem CID115678224
Molecular FormulaC14H11BrFNO
Molecular Weight308.15 g/mol
Exact Mass307.00
IUPAC Name2-bromo-6-fluoro-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1c(F)cccc1Br)c1ccccc1
InChIInChI=1S/C14H11BrFNO/c1-17(10-6-3-2-4-7-10)14(18)13-11(15)8-5-9-12(13)16/h2-9H,1H3
InChIKeyYQFGMBVRFFIOSS-UHFFFAOYSA-N
XLogP3.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.15
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-difluoro-N-methyl-N-phenylbenzamide
CID 4694325
2-bromo-6-fluoro-N-methyl-N-(4-methylphenyl)benzamide
CID 113251002
2-bromo-6-fluoro-N-(2-fluorophenyl)-N-methylbenzamide
CID 114559597
2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide
CID 130956774
2-bromo-N-ethyl-6-fluoro-N-methylbenzamide
CID 115678344
2,6-difluoro-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739175
2-bromo-6-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 115678174
2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide
CID 114559308
2-bromo-6-fluoro-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 115680864
2-bromo-6-fluoro-N',N'-dimethylbenzohydrazide
CID 114559714
N-(4-aminophenyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107013042
2-fluoro-N-(3-fluorophenyl)-6-hydroxy-N-methylbenzamide
CID 104918220

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-methyl-N-phenylbenzamide?
The IUPAC name of 2-bromo-6-fluoro-N-methyl-N-phenylbenzamide (CID 115678224) is 2-bromo-6-fluoro-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-methyl-N-phenylbenzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-methyl-N-phenylbenzamide is CN(C(=O)c1c(F)cccc1Br)c1ccccc1.
What is the InChIKey of 2-bromo-6-fluoro-N-methyl-N-phenylbenzamide?
The InChIKey is YQFGMBVRFFIOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO/c1-17(10-6-3-2-4-7-10)14(18)13-11(15)8-5-9-12(13)16/h2-9H,1H3.
What are the key properties of 2-bromo-6-fluoro-N-methyl-N-phenylbenzamide?
2-bromo-6-fluoro-N-methyl-N-phenylbenzamide has a molecular weight of 308.15 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 115678224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).