N-(2-bromo-4-cyanophenyl)-2-ethylbenzamide

C16H13BrN2O — CID 103817725

IUPACN-(2-bromo-4-cyanophenyl)-2-ethylbenzamide
SMILESCCc1ccccc1C(=O)Nc1ccc(C#N)cc1Br
InChIInChI=1S/C16H13BrN2O/c1-2-12-5-3-4-6-13(12)16(20)19-15-8-7-11(10-18)9-14(15)17/h3-9H,2H2,1H3,(H,19,20)
InChIKeyMFSABNATHQZKAX-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.14
Rot. Bonds3

About N-(2-bromo-4-cyanophenyl)-2-ethylbenzamide

N-(2-bromo-4-cyanophenyl)-2-ethylbenzamide (PubChem CID 103817725) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is N-(2-bromo-4-cyanophenyl)-2-ethylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-4-cyanophenyl)-2-ethylbenzamide
PubChem CID103817725
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC NameN-(2-bromo-4-cyanophenyl)-2-ethylbenzamide
SMILESCCc1ccccc1C(=O)Nc1ccc(C#N)cc1Br
InChIInChI=1S/C16H13BrN2O/c1-2-12-5-3-4-6-13(12)16(20)19-15-8-7-11(10-18)9-14(15)17/h3-9H,2H2,1H3,(H,19,20)
InChIKeyMFSABNATHQZKAX-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

3-bromo-N-(2-bromo-4-cyanophenyl)-2-fluorobenzamide
CID 106544569
N-(5-bromo-2-cyanophenyl)-2-ethylbenzamide
CID 104880168
2,5-dibromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 114371240
N-(2-bromo-4-cyanophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 107793732
2-amino-N-(2-bromo-4-cyanophenyl)pyridine-3-carboxamide
CID 107793711
5-amino-2-bromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 115297136
3-bromo-N-(2-bromo-4-cyanophenyl)-5-methylbenzamide
CID 104852225
2-amino-N-(2-bromo-4-cyanophenyl)-6-ethylpyridine-4-carboxamide
CID 107793724
2-bromo-N-(2-bromo-4-ethylphenyl)benzamide
CID 53268216
N-(2-bromo-4-cyanophenyl)-2-cyanoacetamide
CID 107790761
2-[2-[(2-bromo-4-cyanophenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 107792698
5-amino-N-(2-bromo-4-cyanophenyl)-2,3-dichlorobenzamide
CID 107796812

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-cyanophenyl)-2-ethylbenzamide?
The IUPAC name of N-(2-bromo-4-cyanophenyl)-2-ethylbenzamide (CID 103817725) is N-(2-bromo-4-cyanophenyl)-2-ethylbenzamide.
What is the SMILES notation for N-(2-bromo-4-cyanophenyl)-2-ethylbenzamide?
The canonical SMILES for N-(2-bromo-4-cyanophenyl)-2-ethylbenzamide is CCc1ccccc1C(=O)Nc1ccc(C#N)cc1Br.
What is the InChIKey of N-(2-bromo-4-cyanophenyl)-2-ethylbenzamide?
The InChIKey is MFSABNATHQZKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c1-2-12-5-3-4-6-13(12)16(20)19-15-8-7-11(10-18)9-14(15)17/h3-9H,2H2,1H3,(H,19,20).
What are the key properties of N-(2-bromo-4-cyanophenyl)-2-ethylbenzamide?
N-(2-bromo-4-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-(2-bromo-4-cyanophenyl)-2-ethylbenzamide is sourced from PubChem (CID 103817725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).