N-(5-bromo-2-cyanophenyl)-2-ethylbenzamide

C16H13BrN2O — CID 104880168

IUPACN-(5-bromo-2-cyanophenyl)-2-ethylbenzamide
SMILESCCc1ccccc1C(=O)Nc1cc(Br)ccc1C#N
InChIInChI=1S/C16H13BrN2O/c1-2-11-5-3-4-6-14(11)16(20)19-15-9-13(17)8-7-12(15)10-18/h3-9H,2H2,1H3,(H,19,20)
InChIKeyIAHWJGAOSHQPBM-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.14
Rot. Bonds3

About N-(5-bromo-2-cyanophenyl)-2-ethylbenzamide

N-(5-bromo-2-cyanophenyl)-2-ethylbenzamide (PubChem CID 104880168) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-2-ethylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-2-ethylbenzamide
PubChem CID104880168
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC NameN-(5-bromo-2-cyanophenyl)-2-ethylbenzamide
SMILESCCc1ccccc1C(=O)Nc1cc(Br)ccc1C#N
InChIInChI=1S/C16H13BrN2O/c1-2-11-5-3-4-6-14(11)16(20)19-15-9-13(17)8-7-12(15)10-18/h3-9H,2H2,1H3,(H,19,20)
InChIKeyIAHWJGAOSHQPBM-UHFFFAOYSA-N
XLogP4.14
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide
CID 107799477
N-(5-bromo-2-cyanophenyl)-2-methylsulfanylbenzamide
CID 104880187
N-(5-bromo-2-cyanophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 107798325
N-(2-bromo-4-cyanophenyl)-2-ethylbenzamide
CID 103817725
N-(5-bromo-2-cyanophenyl)-2,3-dichlorobenzamide
CID 104880179
N-(5-bromo-2-cyanophenyl)propanamide
CID 104880130
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
2-[2-(aminomethyl)phenyl]-N-(5-bromo-2-cyanophenyl)acetamide
CID 107798189
methyl 2-[(5-bromo-2-cyanoanilino)methyl]benzoate
CID 107797425
N-(5-bromo-2-cyanophenyl)-2-propylpentanamide
CID 107798334
4-bromo-N-(5-bromo-2-cyanophenyl)-1-ethylpyrrole-2-carboxamide
CID 104880407
N-(5-bromo-2-cyanophenyl)-5-chloro-2-(methylamino)benzamide
CID 107801239

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-2-ethylbenzamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-2-ethylbenzamide (CID 104880168) is N-(5-bromo-2-cyanophenyl)-2-ethylbenzamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-2-ethylbenzamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-2-ethylbenzamide is CCc1ccccc1C(=O)Nc1cc(Br)ccc1C#N.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-2-ethylbenzamide?
The InChIKey is IAHWJGAOSHQPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c1-2-11-5-3-4-6-14(11)16(20)19-15-9-13(17)8-7-12(15)10-18/h3-9H,2H2,1H3,(H,19,20).
What are the key properties of N-(5-bromo-2-cyanophenyl)-2-ethylbenzamide?
N-(5-bromo-2-cyanophenyl)-2-ethylbenzamide has a molecular weight of 329.20 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-cyanophenyl)-2-ethylbenzamide is sourced from PubChem (CID 104880168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).