2-bromo-N-(2-cyano-3-methylphenyl)-3-fluorobenzamide

C15H10BrFN2O — CID 107799208

IUPAC2-bromo-N-(2-cyano-3-methylphenyl)-3-fluorobenzamide
SMILESCc1cccc(NC(=O)c2cccc(F)c2Br)c1C#N
InChIInChI=1S/C15H10BrFN2O/c1-9-4-2-7-13(11(9)8-18)19-15(20)10-5-3-6-12(17)14(10)16/h2-7H,1H3,(H,19,20)
InChIKeyIXHPZYAHQDQCOX-UHFFFAOYSA-N
MW333.16 g/mol
LogP4.02
Rot. Bonds2

About 2-bromo-N-(2-cyano-3-methylphenyl)-3-fluorobenzamide

2-bromo-N-(2-cyano-3-methylphenyl)-3-fluorobenzamide (PubChem CID 107799208) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is 2-bromo-N-(2-cyano-3-methylphenyl)-3-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-cyano-3-methylphenyl)-3-fluorobenzamide
PubChem CID107799208
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC Name2-bromo-N-(2-cyano-3-methylphenyl)-3-fluorobenzamide
SMILESCc1cccc(NC(=O)c2cccc(F)c2Br)c1C#N
InChIInChI=1S/C15H10BrFN2O/c1-9-4-2-7-13(11(9)8-18)19-15(20)10-5-3-6-12(17)14(10)16/h2-7H,1H3,(H,19,20)
InChIKeyIXHPZYAHQDQCOX-UHFFFAOYSA-N
XLogP4.02
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyano-3-methylphenyl)-3-hydroxy-2-methylbenzamide
CID 107799224
5-amino-2-bromo-N-(2-cyano-3-methylphenyl)benzamide
CID 107802401
2,4-dibromo-N-(2-cyano-3-methylphenyl)benzamide
CID 103886633
2-bromo-N-(2-cyano-3-methylphenyl)-5-iodobenzamide
CID 106547457
3-amino-N-(2-cyano-3-methylphenyl)-2-hydroxybenzamide
CID 107802431
2-bromo-N-(2-cyanophenyl)-3-methylbenzamide
CID 103857096
3-bromo-2-chloro-N-(2-cyano-3-fluorophenyl)benzamide
CID 103988714
2-bromo-N-(2-cyano-3-fluorophenyl)furan-3-carboxamide
CID 106852092
5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-carboxamide
CID 79925633
2-chloro-N-(2-cyano-3-fluorophenyl)-3-fluorobenzamide
CID 79035734
N-(2-cyano-3-methylphenyl)-4-iodobenzamide
CID 113241623
2-bromo-N-(2-cyano-3-fluorophenyl)-5-sulfanylbenzamide
CID 107023196

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-cyano-3-methylphenyl)-3-fluorobenzamide?
The IUPAC name of 2-bromo-N-(2-cyano-3-methylphenyl)-3-fluorobenzamide (CID 107799208) is 2-bromo-N-(2-cyano-3-methylphenyl)-3-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(2-cyano-3-methylphenyl)-3-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(2-cyano-3-methylphenyl)-3-fluorobenzamide is Cc1cccc(NC(=O)c2cccc(F)c2Br)c1C#N.
What is the InChIKey of 2-bromo-N-(2-cyano-3-methylphenyl)-3-fluorobenzamide?
The InChIKey is IXHPZYAHQDQCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O/c1-9-4-2-7-13(11(9)8-18)19-15(20)10-5-3-6-12(17)14(10)16/h2-7H,1H3,(H,19,20).
What are the key properties of 2-bromo-N-(2-cyano-3-methylphenyl)-3-fluorobenzamide?
2-bromo-N-(2-cyano-3-methylphenyl)-3-fluorobenzamide has a molecular weight of 333.16 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-cyano-3-methylphenyl)-3-fluorobenzamide is sourced from PubChem (CID 107799208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).