2-(5-bromo-2-cyanoanilino)-N-ethylacetamide

C11H12BrN3O — CID 114901468

IUPAC2-(5-bromo-2-cyanoanilino)-N-ethylacetamide
SMILESCCNC(=O)CNc1cc(Br)ccc1C#N
InChIInChI=1S/C11H12BrN3O/c1-2-14-11(16)7-15-10-5-9(12)4-3-8(10)6-13/h3-5,15H,2,7H2,1H3,(H,14,16)
InChIKeyPIJCBYPYNNFFLM-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.87
Rot. Bonds4

About 2-(5-bromo-2-cyanoanilino)-N-ethylacetamide

2-(5-bromo-2-cyanoanilino)-N-ethylacetamide (PubChem CID 114901468) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 2-(5-bromo-2-cyanoanilino)-N-ethylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-cyanoanilino)-N-ethylacetamide
PubChem CID114901468
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name2-(5-bromo-2-cyanoanilino)-N-ethylacetamide
SMILESCCNC(=O)CNc1cc(Br)ccc1C#N
InChIInChI=1S/C11H12BrN3O/c1-2-14-11(16)7-15-10-5-9(12)4-3-8(10)6-13/h3-5,15H,2,7H2,1H3,(H,14,16)
InChIKeyPIJCBYPYNNFFLM-UHFFFAOYSA-N
XLogP1.87
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-cyanoanilino)-N-(2-methylpropyl)acetamide
CID 114902151
2-(5-bromo-2-cyanoanilino)-N-(2-cyanoethyl)acetamide
CID 107797867
2-(5-chloro-2-cyanoanilino)-N-ethylacetamide
CID 63081915
2-(5-bromo-2-cyanoanilino)-N-pentan-2-ylacetamide
CID 107797820
2-(5-bromo-2-cyanoanilino)-N-carbamoylacetamide
CID 107798022
2-(3-bromo-4-cyano-2-fluoroanilino)-N-ethylacetamide
CID 107533252
N-(5-bromo-2-cyanophenyl)propanamide
CID 104880130
2-(5-bromo-2-cyanoanilino)-N-methyl-N-propan-2-ylacetamide
CID 107797925
N-(5-bromo-2-cyanophenyl)-2-(ethylamino)-2-methylpropanamide
CID 107798144
3-(5-bromo-2-cyanoanilino)propanoic acid
CID 114900871
2-(4-bromo-2-cyanoanilino)-N-(2-methylbutan-2-yl)acetamide
CID 82708770
4-bromo-2-(2,2-dimethylbutylamino)benzonitrile
CID 103461745

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-cyanoanilino)-N-ethylacetamide?
The IUPAC name of 2-(5-bromo-2-cyanoanilino)-N-ethylacetamide (CID 114901468) is 2-(5-bromo-2-cyanoanilino)-N-ethylacetamide.
What is the SMILES notation for 2-(5-bromo-2-cyanoanilino)-N-ethylacetamide?
The canonical SMILES for 2-(5-bromo-2-cyanoanilino)-N-ethylacetamide is CCNC(=O)CNc1cc(Br)ccc1C#N.
What is the InChIKey of 2-(5-bromo-2-cyanoanilino)-N-ethylacetamide?
The InChIKey is PIJCBYPYNNFFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-2-14-11(16)7-15-10-5-9(12)4-3-8(10)6-13/h3-5,15H,2,7H2,1H3,(H,14,16).
What are the key properties of 2-(5-bromo-2-cyanoanilino)-N-ethylacetamide?
2-(5-bromo-2-cyanoanilino)-N-ethylacetamide has a molecular weight of 282.14 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-cyanoanilino)-N-ethylacetamide is sourced from PubChem (CID 114901468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).