4-bromo-N-(2,6-dimethylphenyl)-2-fluorobenzamide

C15H13BrFNO — CID 18089577

IUPAC4-bromo-N-(2,6-dimethylphenyl)-2-fluorobenzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C15H13BrFNO/c1-9-4-3-5-10(2)14(9)18-15(19)12-7-6-11(16)8-13(12)17/h3-8H,1-2H3,(H,18,19)
InChIKeyNSSHCXTWAWECIE-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.46
Rot. Bonds2

About 4-bromo-N-(2,6-dimethylphenyl)-2-fluorobenzamide

4-bromo-N-(2,6-dimethylphenyl)-2-fluorobenzamide (PubChem CID 18089577) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is 4-bromo-N-(2,6-dimethylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(2,6-dimethylphenyl)-2-fluorobenzamide
PubChem CID18089577
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name4-bromo-N-(2,6-dimethylphenyl)-2-fluorobenzamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C15H13BrFNO/c1-9-4-3-5-10(2)14(9)18-15(19)12-7-6-11(16)8-13(12)17/h3-8H,1-2H3,(H,18,19)
InChIKeyNSSHCXTWAWECIE-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide
CID 27760701
5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide
CID 65307111
4-bromo-N-(2,6-diethylphenyl)-2-fluorobenzamide
CID 26692195
4-bromo-N-[2,6-di(propan-2-yl)phenyl]-2-fluorobenzamide
CID 26688276
4-bromo-2-fluoro-N-(2,4,6-tribromophenyl)benzamide
CID 43126410
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270
4-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79050043
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
4-bromo-N-(4-chloro-2-methylphenyl)-2-fluorobenzamide
CID 24708773
N-(2-amino-6-methylphenyl)-2,4-dibromobenzamide
CID 107937350
4-bromo-2-fluoro-N-(3-methylsulfanylphenyl)benzamide
CID 9072559
2-bromo-5-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909354

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,6-dimethylphenyl)-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-(2,6-dimethylphenyl)-2-fluorobenzamide (CID 18089577) is 4-bromo-N-(2,6-dimethylphenyl)-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(2,6-dimethylphenyl)-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(2,6-dimethylphenyl)-2-fluorobenzamide is Cc1cccc(C)c1NC(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(2,6-dimethylphenyl)-2-fluorobenzamide?
The InChIKey is NSSHCXTWAWECIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-9-4-3-5-10(2)14(9)18-15(19)12-7-6-11(16)8-13(12)17/h3-8H,1-2H3,(H,18,19).
What are the key properties of 4-bromo-N-(2,6-dimethylphenyl)-2-fluorobenzamide?
4-bromo-N-(2,6-dimethylphenyl)-2-fluorobenzamide has a molecular weight of 322.18 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,6-dimethylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 18089577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).