2-(2-amino-5-bromo-4-fluoroanilino)-N-ethyl-N-methylpropanamide

C12H17BrFN3O — CID 103106654

IUPAC2-(2-amino-5-bromo-4-fluoroanilino)-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1cc(Br)c(F)cc1N
InChIInChI=1S/C12H17BrFN3O/c1-4-17(3)12(18)7(2)16-11-5-8(13)9(14)6-10(11)15/h5-7,16H,4,15H2,1-3H3
InChIKeyNUUMDTKNGNDZIZ-UHFFFAOYSA-N
MW318.19 g/mol
LogP2.45
Rot. Bonds4

About 2-(2-amino-5-bromo-4-fluoroanilino)-N-ethyl-N-methylpropanamide

2-(2-amino-5-bromo-4-fluoroanilino)-N-ethyl-N-methylpropanamide (PubChem CID 103106654) has the molecular formula C12H17BrFN3O and a molecular weight of 318.19 g/mol. Its IUPAC name is 2-(2-amino-5-bromo-4-fluoroanilino)-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-(2-amino-5-bromo-4-fluoroanilino)-N-ethyl-N-methylpropanamide
PubChem CID103106654
Molecular FormulaC12H17BrFN3O
Molecular Weight318.19 g/mol
Exact Mass317.05
IUPAC Name2-(2-amino-5-bromo-4-fluoroanilino)-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1cc(Br)c(F)cc1N
InChIInChI=1S/C12H17BrFN3O/c1-4-17(3)12(18)7(2)16-11-5-8(13)9(14)6-10(11)15/h5-7,16H,4,15H2,1-3H3
InChIKeyNUUMDTKNGNDZIZ-UHFFFAOYSA-N
XLogP2.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-fluoro-5-propoxyanilino)-N-ethyl-N-methylpropanamide
CID 103106731
2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 106492195
4-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-fluorobenzene-1,2-diamine
CID 116735685
2-(2-amino-4-cyanoanilino)-N-ethyl-N-methylpropanamide
CID 103106779
2-(2-amino-4-nitroanilino)-N-ethyl-N-methylpropanamide
CID 103106754
2-(4,6-diamino-3-chloro-2-fluoroanilino)-N-ethyl-N-methylpropanamide
CID 103553561
2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-N-ethyl-N-methylpropanamide
CID 103106773
4-bromo-1-N-(3-ethylpentan-2-yl)-5-fluorobenzene-1,2-diamine
CID 66112513
4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-3,5-difluorobenzoic acid
CID 103110886
2-(2-amino-5-bromo-4-fluoroanilino)-N-propan-2-ylacetamide
CID 116735525
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N,N-dimethylpropanamide
CID 63594207
2-(2-amino-4-bromo-5-fluoroanilino)-3-methylbutan-1-ol
CID 79248505

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-bromo-4-fluoroanilino)-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-(2-amino-5-bromo-4-fluoroanilino)-N-ethyl-N-methylpropanamide (CID 103106654) is 2-(2-amino-5-bromo-4-fluoroanilino)-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-(2-amino-5-bromo-4-fluoroanilino)-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-(2-amino-5-bromo-4-fluoroanilino)-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)Nc1cc(Br)c(F)cc1N.
What is the InChIKey of 2-(2-amino-5-bromo-4-fluoroanilino)-N-ethyl-N-methylpropanamide?
The InChIKey is NUUMDTKNGNDZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFN3O/c1-4-17(3)12(18)7(2)16-11-5-8(13)9(14)6-10(11)15/h5-7,16H,4,15H2,1-3H3.
What are the key properties of 2-(2-amino-5-bromo-4-fluoroanilino)-N-ethyl-N-methylpropanamide?
2-(2-amino-5-bromo-4-fluoroanilino)-N-ethyl-N-methylpropanamide has a molecular weight of 318.19 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-bromo-4-fluoroanilino)-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103106654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).