3-bromo-N-(3-cyanophenyl)-5-methylbenzamide

C15H11BrN2O — CID 113460579

IUPAC3-bromo-N-(3-cyanophenyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C15H11BrN2O/c1-10-5-12(8-13(16)6-10)15(19)18-14-4-2-3-11(7-14)9-17/h2-8H,1H3,(H,18,19)
InChIKeyFOMWISHHFJFNRD-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.88
Rot. Bonds2

About 3-bromo-N-(3-cyanophenyl)-5-methylbenzamide

3-bromo-N-(3-cyanophenyl)-5-methylbenzamide (PubChem CID 113460579) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 3-bromo-N-(3-cyanophenyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(3-cyanophenyl)-5-methylbenzamide
PubChem CID113460579
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name3-bromo-N-(3-cyanophenyl)-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C15H11BrN2O/c1-10-5-12(8-13(16)6-10)15(19)18-14-4-2-3-11(7-14)9-17/h2-8H,1H3,(H,18,19)
InChIKeyFOMWISHHFJFNRD-UHFFFAOYSA-N
XLogP3.88
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(3,4-dicyanophenyl)-5-methylbenzamide
CID 104854750
3-bromo-N-(3-cyanophenyl)-5-nitrobenzamide
CID 81494856
3-bromo-N-(2-bromo-4-cyanophenyl)-5-methylbenzamide
CID 104852225
3-bromo-N-[(3-cyanophenyl)methyl]-5-methylbenzamide
CID 104851511
3-bromo-N-[3-(hydroxymethyl)phenyl]-5-methylbenzamide
CID 104852214
4-bromo-N-(3-cyanophenyl)-3,5-dimethoxybenzamide
CID 9083182
3-bromo-5-methyl-N-(3-propan-2-ylphenyl)benzamide
CID 86695860
3-bromo-N-(4-cyano-2-fluorophenyl)-5-methylbenzamide
CID 104851539
3-bromo-5-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 104852044
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
N-(3-cyanophenyl)-4-ethylbenzamide
CID 2552285
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-cyanophenyl)-5-methylbenzamide?
The IUPAC name of 3-bromo-N-(3-cyanophenyl)-5-methylbenzamide (CID 113460579) is 3-bromo-N-(3-cyanophenyl)-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(3-cyanophenyl)-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-(3-cyanophenyl)-5-methylbenzamide is Cc1cc(Br)cc(C(=O)Nc2cccc(C#N)c2)c1.
What is the InChIKey of 3-bromo-N-(3-cyanophenyl)-5-methylbenzamide?
The InChIKey is FOMWISHHFJFNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c1-10-5-12(8-13(16)6-10)15(19)18-14-4-2-3-11(7-14)9-17/h2-8H,1H3,(H,18,19).
What are the key properties of 3-bromo-N-(3-cyanophenyl)-5-methylbenzamide?
3-bromo-N-(3-cyanophenyl)-5-methylbenzamide has a molecular weight of 315.17 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-cyanophenyl)-5-methylbenzamide is sourced from PubChem (CID 113460579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).