N-(3-bromo-4-fluorophenyl)-2-(propylamino)acetamide

C11H14BrFN2O — CID 104778142

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

About N-(3-bromo-4-fluorophenyl)-2-(propylamino)acetamide

N-(3-bromo-4-fluorophenyl)-2-(propylamino)acetamide (PubChem CID 104778142) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-2-(propylamino)acetamide
PubChem CID104778142
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC NameN-(3-bromo-4-fluorophenyl)-2-(propylamino)acetamide
SMILESCCCNCC(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C11H14BrFN2O/c1-2-5-14-7-11(16)15-8-3-4-10(13)9(12)6-8/h3-4,6,14H,2,5,7H2,1H3,(H,15,16)
InChIKeyMULBEWQQSSZSLA-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'}

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Related Compounds

N-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide
CID 115738296
N-(4-fluorophenyl)-2-(propylamino)acetamide
CID 28586343
N-(3-bromo-4-fluorophenyl)-4-(propylamino)benzamide
CID 104781544
N-[4-[[2-(propylamino)acetyl]amino]phenyl]propanamide
CID 54818859
N-(3-bromo-4-fluorophenyl)-2-methoxyacetamide
CID 115661537
3-bromo-4-fluoro-N-propylaniline
CID 104776158
N-(4-bromo-2-fluorophenyl)-2-(propylamino)acetamide
CID 60648489
2-(3-bromo-4-fluoroanilino)-N-(4-bromophenyl)acetamide
CID 115650334
N-(3-bromo-4-fluorophenyl)-3-ethoxypropanamide
CID 115661464
N-(4-bromo-3-methylphenyl)-2-(pentylamino)acetamide
CID 109005999
2-(ethylamino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 60641239
3-amino-N-(3-bromo-4-fluorophenyl)butanamide
CID 115738294

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-2-(propylamino)acetamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-2-(propylamino)acetamide (CID 104778142) is N-(3-bromo-4-fluorophenyl)-2-(propylamino)acetamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-2-(propylamino)acetamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-2-(propylamino)acetamide is CCCNCC(=O)Nc1ccc(F)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-2-(propylamino)acetamide?
The InChIKey is MULBEWQQSSZSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-2-5-14-7-11(16)15-8-3-4-10(13)9(12)6-8/h3-4,6,14H,2,5,7H2,1H3,(H,15,16).
What are the key properties of N-(3-bromo-4-fluorophenyl)-2-(propylamino)acetamide?
N-(3-bromo-4-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-(3-bromo-4-fluorophenyl)-2-(propylamino)acetamide is sourced from PubChem (CID 104778142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).