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

C14H10BrF2NO — CID 79050043

IUPAC4-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzamide
SMILESCc1cc(F)cc(NC(=O)c2ccc(Br)cc2F)c1
InChIInChI=1S/C14H10BrF2NO/c1-8-4-10(16)7-11(5-8)18-14(19)12-3-2-9(15)6-13(12)17/h2-7H,1H3,(H,18,19)
InChIKeyXVZCAUJAGGNFMI-UHFFFAOYSA-N
MW326.14 g/mol
LogP4.29
Rot. Bonds2

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

4-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzamide (PubChem CID 79050043) has the molecular formula C14H10BrF2NO and a molecular weight of 326.14 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzamide
PubChem CID79050043
Molecular FormulaC14H10BrF2NO
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC Name4-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzamide
SMILESCc1cc(F)cc(NC(=O)c2ccc(Br)cc2F)c1
InChIInChI=1S/C14H10BrF2NO/c1-8-4-10(16)7-11(5-8)18-14(19)12-3-2-9(15)6-13(12)17/h2-7H,1H3,(H,18,19)
InChIKeyXVZCAUJAGGNFMI-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dibromo-N-(3-fluoro-5-methylphenyl)benzamide
CID 113345345
4-bromo-N-(3-chloro-5-fluorophenyl)-2-fluorobenzamide
CID 103774690
N-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide
CID 107582986
5-bromo-N-(3-fluoro-5-methylphenyl)-2-iodobenzamide
CID 114033240
4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide
CID 107581615
4-bromo-N-(2-chloro-5-methylphenyl)-2-fluorobenzamide
CID 103769423
2,3-difluoro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79055067
4-bromo-N-[4-(carbamoylamino)phenyl]-2-fluorobenzamide
CID 33154064
4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide
CID 82707497
4-[(4-bromo-2-fluorobenzoyl)amino]benzoic acid
CID 24703063
4-bromo-N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 18089577
4-bromo-2-fluoro-N-(3-methylsulfanylphenyl)benzamide
CID 9072559

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzamide (CID 79050043) is 4-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzamide is Cc1cc(F)cc(NC(=O)c2ccc(Br)cc2F)c1.
What is the InChIKey of 4-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzamide?
The InChIKey is XVZCAUJAGGNFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO/c1-8-4-10(16)7-11(5-8)18-14(19)12-3-2-9(15)6-13(12)17/h2-7H,1H3,(H,18,19).
What are the key properties of 4-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzamide?
4-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzamide has a molecular weight of 326.14 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzamide is sourced from PubChem (CID 79050043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).