2,4-dibromo-N-(2-cyano-3-methylphenyl)benzamide

C15H10Br2N2O — CID 103886633

IUPAC2,4-dibromo-N-(2-cyano-3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(Br)cc2Br)c1C#N
InChIInChI=1S/C15H10Br2N2O/c1-9-3-2-4-14(12(9)8-18)19-15(20)11-6-5-10(16)7-13(11)17/h2-7H,1H3,(H,19,20)
InChIKeyDLOQOLFXZKXZJL-UHFFFAOYSA-N
MW394.07 g/mol
LogP4.64
Rot. Bonds2

About 2,4-dibromo-N-(2-cyano-3-methylphenyl)benzamide

2,4-dibromo-N-(2-cyano-3-methylphenyl)benzamide (PubChem CID 103886633) has the molecular formula C15H10Br2N2O and a molecular weight of 394.07 g/mol. Its IUPAC name is 2,4-dibromo-N-(2-cyano-3-methylphenyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(2-cyano-3-methylphenyl)benzamide
PubChem CID103886633
Molecular FormulaC15H10Br2N2O
Molecular Weight394.07 g/mol
Exact Mass391.92
IUPAC Name2,4-dibromo-N-(2-cyano-3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(Br)cc2Br)c1C#N
InChIInChI=1S/C15H10Br2N2O/c1-9-3-2-4-14(12(9)8-18)19-15(20)11-6-5-10(16)7-13(11)17/h2-7H,1H3,(H,19,20)
InChIKeyDLOQOLFXZKXZJL-UHFFFAOYSA-N
XLogP4.64
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.07
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(2-cyano-3-methylphenyl)-5-iodobenzamide
CID 106547457
5-amino-2-bromo-N-(2-cyano-3-methylphenyl)benzamide
CID 107802401
2-bromo-N-(2-cyano-3-methylphenyl)-3-fluorobenzamide
CID 107799208
5-bromo-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-3-carboxamide
CID 107801323
N-(2-cyano-3-methylphenyl)-3-hydroxy-2-methylbenzamide
CID 107799224
2,4-dibromo-N-(3-chloro-2-methylphenyl)benzamide
CID 113345152
3-amino-N-(2-cyano-3-methylphenyl)-2-hydroxybenzamide
CID 107802431
N-(2-cyano-3-methylphenyl)-4-iodobenzamide
CID 113241623
N-(2-cyano-3-methylphenyl)-3-hydroxybenzamide
CID 107799227
N-(2-amino-6-methylphenyl)-2,4-dibromobenzamide
CID 107937350
4-chloro-N-(2-cyano-3-methylphenyl)pyridine-3-carboxamide
CID 114003049
2,4-dibromo-N-(3-methylphenyl)benzamide
CID 103882056

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2-cyano-3-methylphenyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(2-cyano-3-methylphenyl)benzamide (CID 103886633) is 2,4-dibromo-N-(2-cyano-3-methylphenyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(2-cyano-3-methylphenyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(2-cyano-3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2ccc(Br)cc2Br)c1C#N.
What is the InChIKey of 2,4-dibromo-N-(2-cyano-3-methylphenyl)benzamide?
The InChIKey is DLOQOLFXZKXZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2N2O/c1-9-3-2-4-14(12(9)8-18)19-15(20)11-6-5-10(16)7-13(11)17/h2-7H,1H3,(H,19,20).
What are the key properties of 2,4-dibromo-N-(2-cyano-3-methylphenyl)benzamide?
2,4-dibromo-N-(2-cyano-3-methylphenyl)benzamide has a molecular weight of 394.07 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(2-cyano-3-methylphenyl)benzamide is sourced from PubChem (CID 103886633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).