N-(4-bromo-2-ethylphenyl)-3-(ethylamino)propanamide

C13H19BrN2O — CID 81291962

IUPACN-(4-bromo-2-ethylphenyl)-3-(ethylamino)propanamide
SMILESCCNCCC(=O)Nc1ccc(Br)cc1CC
InChIInChI=1S/C13H19BrN2O/c1-3-10-9-11(14)5-6-12(10)16-13(17)7-8-15-4-2/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyZLYISXQAHGYABK-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.95
Rot. Bonds6

About N-(4-bromo-2-ethylphenyl)-3-(ethylamino)propanamide

N-(4-bromo-2-ethylphenyl)-3-(ethylamino)propanamide (PubChem CID 81291962) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-3-(ethylamino)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-3-(ethylamino)propanamide
PubChem CID81291962
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC NameN-(4-bromo-2-ethylphenyl)-3-(ethylamino)propanamide
SMILESCCNCCC(=O)Nc1ccc(Br)cc1CC
InChIInChI=1S/C13H19BrN2O/c1-3-10-9-11(14)5-6-12(10)16-13(17)7-8-15-4-2/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyZLYISXQAHGYABK-UHFFFAOYSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-fluorophenyl)-3-(ethylamino)propanamide
CID 62832838
N-[5-bromo-2-(dimethylamino)phenyl]-3-(ethylamino)propanamide
CID 62833936
N-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide
CID 81289356
2-amino-N-(4-bromo-2-ethylphenyl)acetamide;hydrochloride
CID 119291314
N-(4-bromo-2-ethylphenyl)-4-ethoxybutanamide
CID 81003248
5-amino-N-(4-bromo-2-ethylphenyl)-4-methylpentanamide
CID 82687831
1-(4-bromo-2-ethylphenyl)-3-propylurea
CID 6467713
N-(4-bromo-2-ethylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107033074
N-(4-bromo-2,3-dichlorophenyl)-3-(ethylamino)propanamide
CID 107790244
N-(4-bromo-2-ethylphenyl)-3-piperidin-4-ylpropanamide
CID 81291964
2-[2-(4-bromo-2-ethylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104570178
2-[2-(aminomethyl)phenyl]-N-(4-bromo-2-ethylphenyl)acetamide
CID 81313356

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-3-(ethylamino)propanamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-3-(ethylamino)propanamide (CID 81291962) is N-(4-bromo-2-ethylphenyl)-3-(ethylamino)propanamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-3-(ethylamino)propanamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-3-(ethylamino)propanamide is CCNCCC(=O)Nc1ccc(Br)cc1CC.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-3-(ethylamino)propanamide?
The InChIKey is ZLYISXQAHGYABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-3-10-9-11(14)5-6-12(10)16-13(17)7-8-15-4-2/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of N-(4-bromo-2-ethylphenyl)-3-(ethylamino)propanamide?
N-(4-bromo-2-ethylphenyl)-3-(ethylamino)propanamide has a molecular weight of 299.21 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-3-(ethylamino)propanamide is sourced from PubChem (CID 81291962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).