2-(3-bromo-5-cyanoanilino)-N-ethylpropanamide

C12H14BrN3O — CID 102815690

IUPAC2-(3-bromo-5-cyanoanilino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1cc(Br)cc(C#N)c1
InChIInChI=1S/C12H14BrN3O/c1-3-15-12(17)8(2)16-11-5-9(7-14)4-10(13)6-11/h4-6,8,16H,3H2,1-2H3,(H,15,17)
InChIKeyFJPXQSHTDLWGNX-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.26
Rot. Bonds4

About 2-(3-bromo-5-cyanoanilino)-N-ethylpropanamide

2-(3-bromo-5-cyanoanilino)-N-ethylpropanamide (PubChem CID 102815690) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 2-(3-bromo-5-cyanoanilino)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(3-bromo-5-cyanoanilino)-N-ethylpropanamide
PubChem CID102815690
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name2-(3-bromo-5-cyanoanilino)-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1cc(Br)cc(C#N)c1
InChIInChI=1S/C12H14BrN3O/c1-3-15-12(17)8(2)16-11-5-9(7-14)4-10(13)6-11/h4-6,8,16H,3H2,1-2H3,(H,15,17)
InChIKeyFJPXQSHTDLWGNX-UHFFFAOYSA-N
XLogP2.26
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylanilino)-N-ethylpropanamide
CID 43086091
2-(3-cyanoanilino)-N-propylpropanamide
CID 43087365
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CID 102815675
2-(3-bromo-5-methylanilino)-N-(3-methylbutyl)propanamide
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2-(3-bromo-5-methoxyanilino)-N-(ethylcarbamoyl)propanamide
CID 82867225
2-(4-bromo-3-chloroanilino)-N-ethylpropanamide
CID 107620078
3,5-dibromo-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 103907452
methyl 2-(3-bromo-5-cyanoanilino)acetate
CID 102815053
2-(3-bromo-5-methoxyanilino)-N-pentylpropanamide
CID 82867453
2-(3-bromo-5-methylanilino)-N-pentan-3-ylpropanamide
CID 104937935
2-(2-cyanoanilino)-N-ethylpropanamide
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2-(2-cyano-5-methylanilino)-N-ethylpropanamide
CID 62307281

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-cyanoanilino)-N-ethylpropanamide?
The IUPAC name of 2-(3-bromo-5-cyanoanilino)-N-ethylpropanamide (CID 102815690) is 2-(3-bromo-5-cyanoanilino)-N-ethylpropanamide.
What is the SMILES notation for 2-(3-bromo-5-cyanoanilino)-N-ethylpropanamide?
The canonical SMILES for 2-(3-bromo-5-cyanoanilino)-N-ethylpropanamide is CCNC(=O)C(C)Nc1cc(Br)cc(C#N)c1.
What is the InChIKey of 2-(3-bromo-5-cyanoanilino)-N-ethylpropanamide?
The InChIKey is FJPXQSHTDLWGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-3-15-12(17)8(2)16-11-5-9(7-14)4-10(13)6-11/h4-6,8,16H,3H2,1-2H3,(H,15,17).
What are the key properties of 2-(3-bromo-5-cyanoanilino)-N-ethylpropanamide?
2-(3-bromo-5-cyanoanilino)-N-ethylpropanamide has a molecular weight of 296.17 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-cyanoanilino)-N-ethylpropanamide is sourced from PubChem (CID 102815690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).