N-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide

C15H13BrFNO — CID 107582986

IUPACN-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide
SMILESCc1cc(Br)cc(NC(=O)c2ccc(C)cc2F)c1
InChIInChI=1S/C15H13BrFNO/c1-9-3-4-13(14(17)7-9)15(19)18-12-6-10(2)5-11(16)8-12/h3-8H,1-2H3,(H,18,19)
InChIKeyUPSYBUZZKFRTEH-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.46
Rot. Bonds2

About N-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide

N-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide (PubChem CID 107582986) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide
PubChem CID107582986
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC NameN-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide
SMILESCc1cc(Br)cc(NC(=O)c2ccc(C)cc2F)c1
InChIInChI=1S/C15H13BrFNO/c1-9-3-4-13(14(17)7-9)15(19)18-12-6-10(2)5-11(16)8-12/h3-8H,1-2H3,(H,18,19)
InChIKeyUPSYBUZZKFRTEH-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-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide
CID 107581615
4-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79050043
N-(3-bromo-5-methylphenyl)-5-methyl-2-(methylamino)benzamide
CID 107578496
N-(5-bromo-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770718
4-amino-N-(3-bromo-5-methylphenyl)-2-methylbenzamide
CID 107578505
4-bromo-N-(2-chloro-5-methylphenyl)-2-fluorobenzamide
CID 103769423
N-(2-amino-6-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide
CID 116813658
N-(3,5-dimethylphenyl)-2,4-dimethylbenzamide
CID 925377
N-(3-bromo-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 104938593
4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide
CID 82707497
2-fluoro-5-methyl-N-(2,4,6-tribromophenyl)benzamide
CID 62509199
2,4-dibromo-N-(3-fluoro-5-methylphenyl)benzamide
CID 113345345

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide (CID 107582986) is N-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide is Cc1cc(Br)cc(NC(=O)c2ccc(C)cc2F)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide?
The InChIKey is UPSYBUZZKFRTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-9-3-4-13(14(17)7-9)15(19)18-12-6-10(2)5-11(16)8-12/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide?
N-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide 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 N-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 107582986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).