2-(4-bromo-3-fluoroanilino)-N-tert-butylpropanamide

C13H18BrFN2O — CID 65437707

IUPAC2-(4-bromo-3-fluoroanilino)-N-tert-butylpropanamide
SMILESCC(Nc1ccc(Br)c(F)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H18BrFN2O/c1-8(12(18)17-13(2,3)4)16-9-5-6-10(14)11(15)7-9/h5-8,16H,1-4H3,(H,17,18)
InChIKeyVYDDANPUICFHQK-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.30
Rot. Bonds3

About 2-(4-bromo-3-fluoroanilino)-N-tert-butylpropanamide

2-(4-bromo-3-fluoroanilino)-N-tert-butylpropanamide (PubChem CID 65437707) has the molecular formula C13H18BrFN2O and a molecular weight of 317.20 g/mol. Its IUPAC name is 2-(4-bromo-3-fluoroanilino)-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-(4-bromo-3-fluoroanilino)-N-tert-butylpropanamide
PubChem CID65437707
Molecular FormulaC13H18BrFN2O
Molecular Weight317.20 g/mol
Exact Mass316.06
IUPAC Name2-(4-bromo-3-fluoroanilino)-N-tert-butylpropanamide
SMILESCC(Nc1ccc(Br)c(F)c1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H18BrFN2O/c1-8(12(18)17-13(2,3)4)16-9-5-6-10(14)11(15)7-9/h5-8,16H,1-4H3,(H,17,18)
InChIKeyVYDDANPUICFHQK-UHFFFAOYSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-3-fluoroanilino)-N-tert-butylpropanamide 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

2-(4-bromo-3-fluoroanilino)-N-propylpropanamide
CID 65437335
2-[(6-bromonaphthalen-2-yl)amino]-N-tert-butylpropanamide
CID 80973497
2-(4-bromo-3-fluoroanilino)-N-(2-methoxyethyl)propanamide
CID 65437332
N-tert-butyl-2-(naphthalen-2-ylamino)propanamide
CID 43401178
N-tert-butyl-2-[4-(trifluoromethyl)anilino]propanamide
CID 43087018
(2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide
CID 35994885
2-(4-bromo-3-fluoroanilino)-3-methylbutanoic acid
CID 103252685
(2S)-2-anilino-N-tert-butylpropanamide
CID 28840351
2-[3-bromo-5-(trifluoromethyl)anilino]-N-tert-butylpropanamide
CID 65489625
N-tert-butyl-2-[3-(dimethylamino)-4-methylanilino]propanamide
CID 115378236
4-bromo-3-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 65437825
N-tert-butyl-2-(4-ethylanilino)propanamide
CID 45282110

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluoroanilino)-N-tert-butylpropanamide?
The IUPAC name of 2-(4-bromo-3-fluoroanilino)-N-tert-butylpropanamide (CID 65437707) is 2-(4-bromo-3-fluoroanilino)-N-tert-butylpropanamide.
What is the SMILES notation for 2-(4-bromo-3-fluoroanilino)-N-tert-butylpropanamide?
The canonical SMILES for 2-(4-bromo-3-fluoroanilino)-N-tert-butylpropanamide is CC(Nc1ccc(Br)c(F)c1)C(=O)NC(C)(C)C.
What is the InChIKey of 2-(4-bromo-3-fluoroanilino)-N-tert-butylpropanamide?
The InChIKey is VYDDANPUICFHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O/c1-8(12(18)17-13(2,3)4)16-9-5-6-10(14)11(15)7-9/h5-8,16H,1-4H3,(H,17,18).
What are the key properties of 2-(4-bromo-3-fluoroanilino)-N-tert-butylpropanamide?
2-(4-bromo-3-fluoroanilino)-N-tert-butylpropanamide has a molecular weight of 317.20 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluoroanilino)-N-tert-butylpropanamide is sourced from PubChem (CID 65437707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).