N-(4-bromo-2-fluorophenyl)-2-(propylamino)acetamide

C11H14BrFN2O — CID 60648489

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

About N-(4-bromo-2-fluorophenyl)-2-(propylamino)acetamide

N-(4-bromo-2-fluorophenyl)-2-(propylamino)acetamide (PubChem CID 60648489) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(propylamino)acetamide
PubChem CID60648489
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(propylamino)acetamide
SMILESCCCNCC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C11H14BrFN2O/c1-2-5-14-7-11(16)15-10-4-3-8(12)6-9(10)13/h3-4,6,14H,2,5,7H2,1H3,(H,15,16)
InChIKeyCFBIBAAMJQGYFN-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)-2-(propylamino)acetamide 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-fluorophenyl)-3-(ethylamino)propanamide
CID 62832838
N-(4-bromo-2-fluorophenyl)-2-(butan-2-ylamino)acetamide
CID 54917740
2-(4-bromo-2-fluoroanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 42125828
ethyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 33142715
2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 43466905
N-(4-bromo-2-fluorophenyl)-2-oxoacetamide
CID 146561302
N-(4-bromo-2-fluorophenyl)-3-methylbutanamide
CID 849082
N-(3-bromo-4-fluorophenyl)-2-(propylamino)acetamide
CID 104778142
N-(4-bromo-2-methylphenyl)-N'-(2,4-difluorophenyl)propanediamide
CID 108956659
2-(3-bromoanilino)-N-(4-bromo-2-fluorophenyl)acetamide
CID 9080342
N-(4-bromo-2-fluorophenyl)-3-(3,4-dimethylphenyl)propanamide
CID 100760984
methyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 108808770

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(propylamino)acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(propylamino)acetamide (CID 60648489) is N-(4-bromo-2-fluorophenyl)-2-(propylamino)acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(propylamino)acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(propylamino)acetamide is CCCNCC(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(propylamino)acetamide?
The InChIKey is CFBIBAAMJQGYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-2-5-14-7-11(16)15-10-4-3-8(12)6-9(10)13/h3-4,6,14H,2,5,7H2,1H3,(H,15,16).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(propylamino)acetamide?
N-(4-bromo-2-fluorophenyl)-2-(propylamino)acetamide 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)-2-(propylamino)acetamide is sourced from PubChem (CID 60648489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).