2-bromo-6-fluoro-N-methyl-N-(4-methylphenyl)benzamide

C15H13BrFNO — CID 113251002

IUPAC2-bromo-6-fluoro-N-methyl-N-(4-methylphenyl)benzamide
SMILESCc1ccc(N(C)C(=O)c2c(F)cccc2Br)cc1
InChIInChI=1S/C15H13BrFNO/c1-10-6-8-11(9-7-10)18(2)15(19)14-12(16)4-3-5-13(14)17/h3-9H,1-2H3
InChIKeyZCMFSZZBRGFRLK-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.17
Rot. Bonds2

About 2-bromo-6-fluoro-N-methyl-N-(4-methylphenyl)benzamide

2-bromo-6-fluoro-N-methyl-N-(4-methylphenyl)benzamide (PubChem CID 113251002) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-methyl-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-methyl-N-(4-methylphenyl)benzamide
PubChem CID113251002
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name2-bromo-6-fluoro-N-methyl-N-(4-methylphenyl)benzamide
SMILESCc1ccc(N(C)C(=O)c2c(F)cccc2Br)cc1
InChIInChI=1S/C15H13BrFNO/c1-10-6-8-11(9-7-10)18(2)15(19)14-12(16)4-3-5-13(14)17/h3-9H,1-2H3
InChIKeyZCMFSZZBRGFRLK-UHFFFAOYSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-6-fluoro-N-methyl-N-phenylbenzamide
CID 115678224
2-bromo-6-fluoro-N-(2-fluorophenyl)-N-methylbenzamide
CID 114559597
2-bromo-6-fluoro-N-hydroxy-N-methylbenzamide
CID 130956774
2,6-difluoro-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739175
2,6-difluoro-N-methyl-N-phenylbenzamide
CID 4694325
2-bromo-N-ethyl-6-fluoro-N-methylbenzamide
CID 115678344
N-(4-aminophenyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107013042
N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 90825251
4-bromo-N,3-dimethyl-N-(4-methylphenyl)benzamide
CID 112705888
3-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide
CID 52851115
3-bromo-4-fluoro-N-methyl-N-(3-methylphenyl)benzamide
CID 113244776
2-bromo-6-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 115678174

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-methyl-N-(4-methylphenyl)benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-methyl-N-(4-methylphenyl)benzamide (CID 113251002) is 2-bromo-6-fluoro-N-methyl-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-methyl-N-(4-methylphenyl)benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-methyl-N-(4-methylphenyl)benzamide is Cc1ccc(N(C)C(=O)c2c(F)cccc2Br)cc1.
What is the InChIKey of 2-bromo-6-fluoro-N-methyl-N-(4-methylphenyl)benzamide?
The InChIKey is ZCMFSZZBRGFRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-10-6-8-11(9-7-10)18(2)15(19)14-12(16)4-3-5-13(14)17/h3-9H,1-2H3.
What are the key properties of 2-bromo-6-fluoro-N-methyl-N-(4-methylphenyl)benzamide?
2-bromo-6-fluoro-N-methyl-N-(4-methylphenyl)benzamide has a molecular weight of 322.18 g/mol, XLogP of 4.17, 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-(4-methylphenyl)benzamide is sourced from PubChem (CID 113251002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).