3-(2-bromo-4-fluoroanilino)-N-propan-2-ylpropanamide

C12H16BrFN2O — CID 62623782

IUPAC3-(2-bromo-4-fluoroanilino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNc1ccc(F)cc1Br
InChIInChI=1S/C12H16BrFN2O/c1-8(2)16-12(17)5-6-15-11-4-3-9(14)7-10(11)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyOQODXAXYICGMLA-UHFFFAOYSA-N
MW303.18 g/mol
LogP2.91
Rot. Bonds5

About 3-(2-bromo-4-fluoroanilino)-N-propan-2-ylpropanamide

3-(2-bromo-4-fluoroanilino)-N-propan-2-ylpropanamide (PubChem CID 62623782) has the molecular formula C12H16BrFN2O and a molecular weight of 303.18 g/mol. Its IUPAC name is 3-(2-bromo-4-fluoroanilino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2-bromo-4-fluoroanilino)-N-propan-2-ylpropanamide
PubChem CID62623782
Molecular FormulaC12H16BrFN2O
Molecular Weight303.18 g/mol
Exact Mass302.04
IUPAC Name3-(2-bromo-4-fluoroanilino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNc1ccc(F)cc1Br
InChIInChI=1S/C12H16BrFN2O/c1-8(2)16-12(17)5-6-15-11-4-3-9(14)7-10(11)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyOQODXAXYICGMLA-UHFFFAOYSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2-bromo-4-fluoroanilino)-N-propan-2-ylpropanamide 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

3-(2-chloro-4-fluoroanilino)-N-propan-2-ylpropanamide
CID 62623790
3-(2-bromo-4-fluoroanilino)propanoic acid
CID 28939323
3-(2-fluoro-4-methylanilino)-N-propan-2-ylpropanamide
CID 62623781
N-propan-2-yl-3-(2,4,5-trifluoroanilino)propanamide
CID 62814354
3-(3-bromo-4-methylanilino)-N-propan-2-ylpropanamide
CID 63333816
3-(2-amino-3,5-difluoroanilino)-N-propan-2-ylpropanamide
CID 113409518
2-(2-bromo-4-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 54957320
N-(2-bromo-4-fluorophenyl)propanamide
CID 28938564
3-(3-fluoro-2-methylanilino)-N-propan-2-ylpropanamide
CID 62623240
3-(2-bromo-4-fluoroanilino)-N'-hydroxypropanimidamide
CID 77029787
3-(3-fluoro-5-methoxyanilino)-N-propan-2-ylpropanamide
CID 114262949
3-amino-N-(2-bromo-4-fluorophenyl)-2-methylpropanamide
CID 62670318

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-fluoroanilino)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(2-bromo-4-fluoroanilino)-N-propan-2-ylpropanamide (CID 62623782) is 3-(2-bromo-4-fluoroanilino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2-bromo-4-fluoroanilino)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2-bromo-4-fluoroanilino)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNc1ccc(F)cc1Br.
What is the InChIKey of 3-(2-bromo-4-fluoroanilino)-N-propan-2-ylpropanamide?
The InChIKey is OQODXAXYICGMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-8(2)16-12(17)5-6-15-11-4-3-9(14)7-10(11)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 3-(2-bromo-4-fluoroanilino)-N-propan-2-ylpropanamide?
3-(2-bromo-4-fluoroanilino)-N-propan-2-ylpropanamide has a molecular weight of 303.18 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-fluoroanilino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 62623782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).