2-bromo-4-fluoro-N-methyl-N-phenylbenzamide

C14H11BrFNO — CID 24710295

IUPAC2-bromo-4-fluoro-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1Br)c1ccccc1
InChIInChI=1S/C14H11BrFNO/c1-17(11-5-3-2-4-6-11)14(18)12-8-7-10(16)9-13(12)15/h2-9H,1H3
InChIKeyUDJAYPVZOGVFFX-UHFFFAOYSA-N
MW308.15 g/mol
LogP3.86
Rot. Bonds2

About 2-bromo-4-fluoro-N-methyl-N-phenylbenzamide

2-bromo-4-fluoro-N-methyl-N-phenylbenzamide (PubChem CID 24710295) has the molecular formula C14H11BrFNO and a molecular weight of 308.15 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-methyl-N-phenylbenzamide
PubChem CID24710295
Molecular FormulaC14H11BrFNO
Molecular Weight308.15 g/mol
Exact Mass307.00
IUPAC Name2-bromo-4-fluoro-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1Br)c1ccccc1
InChIInChI=1S/C14H11BrFNO/c1-17(11-5-3-2-4-6-11)14(18)12-8-7-10(16)9-13(12)15/h2-9H,1H3
InChIKeyUDJAYPVZOGVFFX-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-bromo-4-fluoro-N-(4-fluorophenyl)-N-methylbenzamide
CID 61063397
2-bromo-4-fluoro-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739035
4-chloro-2-fluoro-N-methyl-N-phenylbenzamide
CID 56919945
2,4-difluoro-N-methyl-N-(4-phenoxyphenyl)benzamide
CID 47085591
2-amino-3,5-dibromo-N-methyl-N-phenylbenzamide
CID 54547722
2-(2-bromo-4-fluorophenoxy)-N-methyl-N-phenylpropanamide
CID 112786458
2-bromo-N-(3-fluorophenyl)-N,5-dimethylbenzamide
CID 81003545
2-bromo-6-fluoro-N-methyl-N-phenylbenzamide
CID 115678224
2-fluoro-4-methoxy-N-methyl-N-phenylbenzamide
CID 39963889
2,4-dibromo-N-methyl-N-(3-methylphenyl)benzamide
CID 107952311
2-amino-4-bromo-N-(3-fluorophenyl)-N-methylbenzamide
CID 79722420
2-bromo-4-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 78947672

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-methyl-N-phenylbenzamide?
The IUPAC name of 2-bromo-4-fluoro-N-methyl-N-phenylbenzamide (CID 24710295) is 2-bromo-4-fluoro-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-methyl-N-phenylbenzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-methyl-N-phenylbenzamide is CN(C(=O)c1ccc(F)cc1Br)c1ccccc1.
What is the InChIKey of 2-bromo-4-fluoro-N-methyl-N-phenylbenzamide?
The InChIKey is UDJAYPVZOGVFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO/c1-17(11-5-3-2-4-6-11)14(18)12-8-7-10(16)9-13(12)15/h2-9H,1H3.
What are the key properties of 2-bromo-4-fluoro-N-methyl-N-phenylbenzamide?
2-bromo-4-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-4-fluoro-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 24710295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).