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

C11H14BrFN2O — CID 62832838

IUPACN-(4-bromo-2-fluorophenyl)-3-(ethylamino)propanamide
SMILESCCNCCC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C11H14BrFN2O/c1-2-14-6-5-11(16)15-10-4-3-8(12)7-9(10)13/h3-4,7,14H,2,5-6H2,1H3,(H,15,16)
InChIKeyBCCLKZLUZJFDMN-UHFFFAOYSA-N
MW289.15 g/mol
LogP2.53
Rot. Bonds5

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

N-(4-bromo-2-fluorophenyl)-3-(ethylamino)propanamide (PubChem CID 62832838) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-(ethylamino)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-(ethylamino)propanamide
PubChem CID62832838
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-(ethylamino)propanamide
SMILESCCNCCC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C11H14BrFN2O/c1-2-14-6-5-11(16)15-10-4-3-8(12)7-9(10)13/h3-4,7,14H,2,5-6H2,1H3,(H,15,16)
InChIKeyBCCLKZLUZJFDMN-UHFFFAOYSA-N
XLogP2.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-bromo-2-fluorophenyl)-3-(ethylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-2-ethylphenyl)-3-(ethylamino)propanamide
CID 81291962
N-(4-bromo-2-fluorophenyl)-2-(propylamino)acetamide
CID 60648489
methyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 108808770
N-[5-bromo-2-(dimethylamino)phenyl]-3-(ethylamino)propanamide
CID 62833936
ethyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 33142715
N-(4-bromo-2-fluorophenyl)-3-(3,4-dimethylphenyl)propanamide
CID 100760984
N-(4-bromo-2-fluorophenyl)-2-oxoacetamide
CID 146561302
N-(4-bromo-2-fluorophenyl)-3-methylbutanamide
CID 849082
N-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)methyl-methylamino]propanamide
CID 24588996
3-[3-(ethylamino)propanoylamino]-4-fluorobenzoic acid
CID 62833957
N-(5-bromo-2-fluorophenyl)-3-(tert-butylamino)propanamide
CID 60850786
N-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-2-chlorobenzamide
CID 7959132

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(ethylamino)propanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(ethylamino)propanamide (CID 62832838) is N-(4-bromo-2-fluorophenyl)-3-(ethylamino)propanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-(ethylamino)propanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-(ethylamino)propanamide is CCNCCC(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-(ethylamino)propanamide?
The InChIKey is BCCLKZLUZJFDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-2-14-6-5-11(16)15-10-4-3-8(12)7-9(10)13/h3-4,7,14H,2,5-6H2,1H3,(H,15,16).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-(ethylamino)propanamide?
N-(4-bromo-2-fluorophenyl)-3-(ethylamino)propanamide has a molecular weight of 289.15 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-3-(ethylamino)propanamide is sourced from PubChem (CID 62832838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).